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

C22H25FN6O2 — CID 10180702

IUPAC2-amino-6-[3-[2-(aminomethyl)-3-pyridinyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione
SMILESCc1c(N2CCC(c3cccnc3CN)C2)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12
InChIInChI=1S/C22H25FN6O2/c1-12-19(27-8-6-14(10-27)15-3-2-7-26-17(15)9-24)16(23)11-28-20(12)18(13-4-5-13)21(30)29(25)22(28)31/h2-3,7,11,13-14H,4-6,8-10,24-25H2,1H3
InChIKeyFPAMBTNRCOERQL-UHFFFAOYSA-N
MW424.48 g/mol
LogP1.35
Rot. Bonds4

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

2-amino-6-[3-[2-(aminomethyl)-3-pyridinyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione (PubChem CID 10180702) has the molecular formula C22H25FN6O2 and a molecular weight of 424.48 g/mol. Its IUPAC name is 2-amino-6-[3-[2-(aminomethyl)-3-pyridinyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name2-amino-6-[3-[2-(aminomethyl)-3-pyridinyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione
PubChem CID10180702
Molecular FormulaC22H25FN6O2
Molecular Weight424.48 g/mol
Exact Mass424.20
IUPAC Name2-amino-6-[3-[2-(aminomethyl)-3-pyridinyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione
SMILESCc1c(N2CCC(c3cccnc3CN)C2)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12
InChIInChI=1S/C22H25FN6O2/c1-12-19(27-8-6-14(10-27)15-3-2-7-26-17(15)9-24)16(23)11-28-20(12)18(13-4-5-13)21(30)29(25)22(28)31/h2-3,7,11,13-14H,4-6,8-10,24-25H2,1H3
InChIKeyFPAMBTNRCOERQL-UHFFFAOYSA-N
XLogP1.35
TPSA111.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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-(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-4-cyclopropyl-7-fluoro-6-[3-imino-4-(methoxyamino)pyrrolidin-1-yl]-5-methylpyrido[1,2-c]pyrimidine-1,3-dione
CID 91236871
2-amino-6-[6-(aminomethyl)pyrazin-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione
CID 10155189
1-cyclopropyl-7-fluoro-9-methyl-4-oxo-8-(3-pyridin-2-ylpyrrolidin-1-yl)quinolizine-3-carboxylic acid;hydrochloride
CID 512785
2-amino-4-cyclopropyl-5-methyl-6-pyrrolidin-1-ylpyrimido[1,6-c]pyrimidine-1,3-dione
CID 20763720
2-amino-6-[2-(aminomethyl)pyrimidin-5-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
CID 22560430
8-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one
CID 56626154
2-amino-6-chloro-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
CID 22560208
[(3S)-1-(7-carboxy-9-cyclopropyl-3-fluoro-1-methyl-6-oxoquinolizin-2-yl)pyrrolidin-3-yl]-(2-methoxyethyl)azanium chloride
CID 10717921
7-[3-[2-(aminomethyl)phenyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid
CID 15231290

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[3-[2-(aminomethyl)-3-pyridinyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione?
The IUPAC name of 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) is 2-amino-6-[3-[2-(aminomethyl)-3-pyridinyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione.
What is the SMILES notation for 2-amino-6-[3-[2-(aminomethyl)-3-pyridinyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione?
The canonical SMILES for 2-amino-6-[3-[2-(aminomethyl)-3-pyridinyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione is Cc1c(N2CCC(c3cccnc3CN)C2)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12.
What is the InChIKey of 2-amino-6-[3-[2-(aminomethyl)-3-pyridinyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione?
The InChIKey is FPAMBTNRCOERQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O2/c1-12-19(27-8-6-14(10-27)15-3-2-7-26-17(15)9-24)16(23)11-28-20(12)18(13-4-5-13)21(30)29(25)22(28)31/h2-3,7,11,13-14H,4-6,8-10,24-25H2,1H3.
What are the key properties of 2-amino-6-[3-[2-(aminomethyl)-3-pyridinyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione?
2-amino-6-[3-[2-(aminomethyl)-3-pyridinyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione has a molecular weight of 424.48 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[3-[2-(aminomethyl)-3-pyridinyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 10180702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).