2-amino-4-cyclopropyl-7-fluoro-6-[3-imino-4-(methoxyamino)pyrrolidin-1-yl]-5-methylpyrido[1,2-c]pyrimidine-1,3-dione

C17H21FN6O3 — CID 91236871

IUPAC2-amino-4-cyclopropyl-7-fluoro-6-[3-imino-4-(methoxyamino)pyrrolidin-1-yl]-5-methylpyrido[1,2-c]pyrimidine-1,3-dione
SMILES[H]/N=C1\CN(c2c(F)cn3c(=O)n(N)c(=O)c(C4CC4)c3c2C)CC1NOC
InChIInChI=1S/C17H21FN6O3/c1-8-14(22-6-11(19)12(7-22)21-27-2)10(18)5-23-15(8)13(9-3-4-9)16(25)24(20)17(23)26/h5,9,12,19,21H,3-4,6-7,20H2,1-2H3/b19-11+
InChIKeyDQYKARSLZANLNS-YBFXNURJSA-N
MW376.39 g/mol
LogP-0.14
Rot. Bonds4

About 2-amino-4-cyclopropyl-7-fluoro-6-[3-imino-4-(methoxyamino)pyrrolidin-1-yl]-5-methylpyrido[1,2-c]pyrimidine-1,3-dione

2-amino-4-cyclopropyl-7-fluoro-6-[3-imino-4-(methoxyamino)pyrrolidin-1-yl]-5-methylpyrido[1,2-c]pyrimidine-1,3-dione (PubChem CID 91236871) has the molecular formula C17H21FN6O3 and a molecular weight of 376.39 g/mol. Its IUPAC name is 2-amino-4-cyclopropyl-7-fluoro-6-[3-imino-4-(methoxyamino)pyrrolidin-1-yl]-5-methylpyrido[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name2-amino-4-cyclopropyl-7-fluoro-6-[3-imino-4-(methoxyamino)pyrrolidin-1-yl]-5-methylpyrido[1,2-c]pyrimidine-1,3-dione
PubChem CID91236871
Molecular FormulaC17H21FN6O3
Molecular Weight376.39 g/mol
Exact Mass376.17
IUPAC Name2-amino-4-cyclopropyl-7-fluoro-6-[3-imino-4-(methoxyamino)pyrrolidin-1-yl]-5-methylpyrido[1,2-c]pyrimidine-1,3-dione
SMILES[H]/N=C1\CN(c2c(F)cn3c(=O)n(N)c(=O)c(C4CC4)c3c2C)CC1NOC
InChIInChI=1S/C17H21FN6O3/c1-8-14(22-6-11(19)12(7-22)21-27-2)10(18)5-23-15(8)13(9-3-4-9)16(25)24(20)17(23)26/h5,9,12,19,21H,3-4,6-7,20H2,1-2H3/b19-11+
InChIKeyDQYKARSLZANLNS-YBFXNURJSA-N
XLogP-0.14
TPSA117.85 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-(3-aminopyrrolidin-1-yl)-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione;hydrochloride
CID 10270468
2-amino-6-[3-[amino(phenyl)methyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione
CID 10224127
2-amino-6-[3-[2-(aminomethyl)-3-pyridinyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione
CID 10180702
2-amino-6-[3-[6-(aminomethyl)-2-pyridinyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione
CID 10137165
2-amino-6-chloro-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
CID 22560208
2-amino-6-[6-(aminomethyl)pyrazin-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione
CID 10155189
2-amino-6-[2-(aminomethyl)pyrimidin-5-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
CID 22560430
2-amino-4-cyclopropyl-5-methyl-6-pyrrolidin-1-ylpyrimido[1,6-c]pyrimidine-1,3-dione
CID 20763720
2-amino-6-[3-(1-aminoethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione
CID 22560206
8-(3-amino-4-methoxypyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
CID 512777
8-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one
CID 56626154
1-cyclopropyl-7-fluoro-9-methyl-8-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-oxoquinolizine-3-carboxylic acid;hydrochloride
CID 139719071

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-cyclopropyl-7-fluoro-6-[3-imino-4-(methoxyamino)pyrrolidin-1-yl]-5-methylpyrido[1,2-c]pyrimidine-1,3-dione?
The IUPAC name of 2-amino-4-cyclopropyl-7-fluoro-6-[3-imino-4-(methoxyamino)pyrrolidin-1-yl]-5-methylpyrido[1,2-c]pyrimidine-1,3-dione (CID 91236871) is 2-amino-4-cyclopropyl-7-fluoro-6-[3-imino-4-(methoxyamino)pyrrolidin-1-yl]-5-methylpyrido[1,2-c]pyrimidine-1,3-dione.
What is the SMILES notation for 2-amino-4-cyclopropyl-7-fluoro-6-[3-imino-4-(methoxyamino)pyrrolidin-1-yl]-5-methylpyrido[1,2-c]pyrimidine-1,3-dione?
The canonical SMILES for 2-amino-4-cyclopropyl-7-fluoro-6-[3-imino-4-(methoxyamino)pyrrolidin-1-yl]-5-methylpyrido[1,2-c]pyrimidine-1,3-dione is [H]/N=C1\CN(c2c(F)cn3c(=O)n(N)c(=O)c(C4CC4)c3c2C)CC1NOC.
What is the InChIKey of 2-amino-4-cyclopropyl-7-fluoro-6-[3-imino-4-(methoxyamino)pyrrolidin-1-yl]-5-methylpyrido[1,2-c]pyrimidine-1,3-dione?
The InChIKey is DQYKARSLZANLNS-YBFXNURJSA-N. The full InChI is InChI=1S/C17H21FN6O3/c1-8-14(22-6-11(19)12(7-22)21-27-2)10(18)5-23-15(8)13(9-3-4-9)16(25)24(20)17(23)26/h5,9,12,19,21H,3-4,6-7,20H2,1-2H3/b19-11+.
What are the key properties of 2-amino-4-cyclopropyl-7-fluoro-6-[3-imino-4-(methoxyamino)pyrrolidin-1-yl]-5-methylpyrido[1,2-c]pyrimidine-1,3-dione?
2-amino-4-cyclopropyl-7-fluoro-6-[3-imino-4-(methoxyamino)pyrrolidin-1-yl]-5-methylpyrido[1,2-c]pyrimidine-1,3-dione has a molecular weight of 376.39 g/mol, XLogP of -0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-cyclopropyl-7-fluoro-6-[3-imino-4-(methoxyamino)pyrrolidin-1-yl]-5-methylpyrido[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 91236871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).