2-amino-4-cyclopropyl-7-(fluoromethyl)-6-[3-(methylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-c]pyrimidine-1,3-dione

C18H24FN5O2 — CID 91062967

IUPAC2-amino-4-cyclopropyl-7-(fluoromethyl)-6-[3-(methylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-c]pyrimidine-1,3-dione
SMILESCNCC1CCN(c2cc3c(C4CC4)c(=O)n(N)c(=O)n3cc2CF)C1
InChIInChI=1S/C18H24FN5O2/c1-21-8-11-4-5-22(9-11)14-6-15-16(12-2-3-12)17(25)24(20)18(26)23(15)10-13(14)7-19/h6,10-12,21H,2-5,7-9,20H2,1H3
InChIKeyDPCKTLSHHLSOQI-UHFFFAOYSA-N
MW361.42 g/mol
LogP0.57
Rot. Bonds5

About 2-amino-4-cyclopropyl-7-(fluoromethyl)-6-[3-(methylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-c]pyrimidine-1,3-dione

2-amino-4-cyclopropyl-7-(fluoromethyl)-6-[3-(methylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-c]pyrimidine-1,3-dione (PubChem CID 91062967) has the molecular formula C18H24FN5O2 and a molecular weight of 361.42 g/mol. Its IUPAC name is 2-amino-4-cyclopropyl-7-(fluoromethyl)-6-[3-(methylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name2-amino-4-cyclopropyl-7-(fluoromethyl)-6-[3-(methylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-c]pyrimidine-1,3-dione
PubChem CID91062967
Molecular FormulaC18H24FN5O2
Molecular Weight361.42 g/mol
Exact Mass361.19
IUPAC Name2-amino-4-cyclopropyl-7-(fluoromethyl)-6-[3-(methylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-c]pyrimidine-1,3-dione
SMILESCNCC1CCN(c2cc3c(C4CC4)c(=O)n(N)c(=O)n3cc2CF)C1
InChIInChI=1S/C18H24FN5O2/c1-21-8-11-4-5-22(9-11)14-6-15-16(12-2-3-12)17(25)24(20)18(26)23(15)10-13(14)7-19/h6,10-12,21H,2-5,7-9,20H2,1H3
InChIKeyDPCKTLSHHLSOQI-UHFFFAOYSA-N
XLogP0.57
TPSA84.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-1-[1-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]methanamine
CID 62816102
1-methyl-3-[3-(methylaminomethyl)pyrrolidin-1-yl]pyrazin-2-one
CID 63267799
2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzamide
CID 55167908
1-[1-[2-(difluoromethyl)-4-nitrophenyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63736160
N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine
CID 42258344
1-[1-(3-fluoro-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62513124
1-[1-(4-bromo-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62511575
1-[1-(2-benzylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62514049
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-5-nitrobenzamide
CID 63267846
1-[1-[4-(difluoromethylsulfonyl)phenyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63267403
1-[1-(2-bromo-3-chlorophenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 103480332
1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 63873022

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-cyclopropyl-7-(fluoromethyl)-6-[3-(methylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-c]pyrimidine-1,3-dione?
The IUPAC name of 2-amino-4-cyclopropyl-7-(fluoromethyl)-6-[3-(methylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-c]pyrimidine-1,3-dione (CID 91062967) is 2-amino-4-cyclopropyl-7-(fluoromethyl)-6-[3-(methylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-c]pyrimidine-1,3-dione.
What is the SMILES notation for 2-amino-4-cyclopropyl-7-(fluoromethyl)-6-[3-(methylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-c]pyrimidine-1,3-dione?
The canonical SMILES for 2-amino-4-cyclopropyl-7-(fluoromethyl)-6-[3-(methylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-c]pyrimidine-1,3-dione is CNCC1CCN(c2cc3c(C4CC4)c(=O)n(N)c(=O)n3cc2CF)C1.
What is the InChIKey of 2-amino-4-cyclopropyl-7-(fluoromethyl)-6-[3-(methylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-c]pyrimidine-1,3-dione?
The InChIKey is DPCKTLSHHLSOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O2/c1-21-8-11-4-5-22(9-11)14-6-15-16(12-2-3-12)17(25)24(20)18(26)23(15)10-13(14)7-19/h6,10-12,21H,2-5,7-9,20H2,1H3.
What are the key properties of 2-amino-4-cyclopropyl-7-(fluoromethyl)-6-[3-(methylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-c]pyrimidine-1,3-dione?
2-amino-4-cyclopropyl-7-(fluoromethyl)-6-[3-(methylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-c]pyrimidine-1,3-dione has a molecular weight of 361.42 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-cyclopropyl-7-(fluoromethyl)-6-[3-(methylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 91062967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).