2-amino-6-(3-aminopyrrolidin-1-yl)-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione;hydrochloride

C16H21ClFN5O2 — CID 10270468

IUPAC2-amino-6-(3-aminopyrrolidin-1-yl)-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione;hydrochloride
SMILESCc1c(N2CCC(N)C2)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12.Cl
InChIInChI=1S/C16H20FN5O2.ClH/c1-8-13(20-5-4-10(18)6-20)11(17)7-21-14(8)12(9-2-3-9)15(23)22(19)16(21)24;/h7,9-10H,2-6,18-19H2,1H3;1H
InChIKeyOUVLFCKHBXGHGQ-UHFFFAOYSA-N
MW369.83 g/mol
LogP0.46
Rot. Bonds2

About 2-amino-6-(3-aminopyrrolidin-1-yl)-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione;hydrochloride

2-amino-6-(3-aminopyrrolidin-1-yl)-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione;hydrochloride (PubChem CID 10270468) has the molecular formula C16H21ClFN5O2 and a molecular weight of 369.83 g/mol. Its IUPAC name is 2-amino-6-(3-aminopyrrolidin-1-yl)-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione;hydrochloride.

Molecular Properties

Compound Name2-amino-6-(3-aminopyrrolidin-1-yl)-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione;hydrochloride
PubChem CID10270468
Molecular FormulaC16H21ClFN5O2
Molecular Weight369.83 g/mol
Exact Mass369.14
IUPAC Name2-amino-6-(3-aminopyrrolidin-1-yl)-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione;hydrochloride
SMILESCc1c(N2CCC(N)C2)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12.Cl
InChIInChI=1S/C16H20FN5O2.ClH/c1-8-13(20-5-4-10(18)6-20)11(17)7-21-14(8)12(9-2-3-9)15(23)22(19)16(21)24;/h7,9-10H,2-6,18-19H2,1H3;1H
InChIKeyOUVLFCKHBXGHGQ-UHFFFAOYSA-N
XLogP0.46
TPSA98.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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-[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-[2-(aminomethyl)-3-pyridinyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione
CID 10180702
8-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one
CID 56626154
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
8-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-3-[(Z)-1-hydroxy-2-nitroethenyl]-9-methylquinolizin-4-one
CID 10620297
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-4-cyclopropyl-5-methyl-6-pyrrolidin-1-ylpyrimido[1,6-c]pyrimidine-1,3-dione
CID 20763720
8-[(3S,4R)-3-amino-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid;hydrochloride
CID 22211272
1-cyclopropyl-7-fluoro-9-methyl-8-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-oxoquinolizine-3-carboxylic acid;hydrochloride
CID 139719071
1-cyclopropyl-8-(3,5-dimethylpiperazin-1-yl)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid;hydrochloride
CID 78192833

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3-aminopyrrolidin-1-yl)-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione;hydrochloride?
The IUPAC name of 2-amino-6-(3-aminopyrrolidin-1-yl)-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione;hydrochloride (CID 10270468) is 2-amino-6-(3-aminopyrrolidin-1-yl)-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione;hydrochloride.
What is the SMILES notation for 2-amino-6-(3-aminopyrrolidin-1-yl)-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione;hydrochloride?
The canonical SMILES for 2-amino-6-(3-aminopyrrolidin-1-yl)-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione;hydrochloride is Cc1c(N2CCC(N)C2)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12.Cl.
What is the InChIKey of 2-amino-6-(3-aminopyrrolidin-1-yl)-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione;hydrochloride?
The InChIKey is OUVLFCKHBXGHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O2.ClH/c1-8-13(20-5-4-10(18)6-20)11(17)7-21-14(8)12(9-2-3-9)15(23)22(19)16(21)24;/h7,9-10H,2-6,18-19H2,1H3;1H.
What are the key properties of 2-amino-6-(3-aminopyrrolidin-1-yl)-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione;hydrochloride?
2-amino-6-(3-aminopyrrolidin-1-yl)-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione;hydrochloride has a molecular weight of 369.83 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3-aminopyrrolidin-1-yl)-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione;hydrochloride is sourced from PubChem (CID 10270468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).