2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-(4-methylpiperazin-1-yl)pyrido[1,2-c]pyrimidine-1,3-dione

C17H22FN5O3 — CID 22560341

IUPAC2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-(4-methylpiperazin-1-yl)pyrido[1,2-c]pyrimidine-1,3-dione
SMILESCOc1c(N2CCN(C)CC2)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12
InChIInChI=1S/C17H22FN5O3/c1-20-5-7-21(8-6-20)13-11(18)9-22-14(15(13)26-2)12(10-3-4-10)16(24)23(19)17(22)25/h9-10H,3-8,19H2,1-2H3
InChIKeyVTFMEBMJWNPELR-UHFFFAOYSA-N
MW363.39 g/mol
LogP-0.05
Rot. Bonds3

About 2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-(4-methylpiperazin-1-yl)pyrido[1,2-c]pyrimidine-1,3-dione

2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-(4-methylpiperazin-1-yl)pyrido[1,2-c]pyrimidine-1,3-dione (PubChem CID 22560341) has the molecular formula C17H22FN5O3 and a molecular weight of 363.39 g/mol. Its IUPAC name is 2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-(4-methylpiperazin-1-yl)pyrido[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-(4-methylpiperazin-1-yl)pyrido[1,2-c]pyrimidine-1,3-dione
PubChem CID22560341
Molecular FormulaC17H22FN5O3
Molecular Weight363.39 g/mol
Exact Mass363.17
IUPAC Name2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-(4-methylpiperazin-1-yl)pyrido[1,2-c]pyrimidine-1,3-dione
SMILESCOc1c(N2CCN(C)CC2)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12
InChIInChI=1S/C17H22FN5O3/c1-20-5-7-21(8-6-20)13-11(18)9-22-14(15(13)26-2)12(10-3-4-10)16(24)23(19)17(22)25/h9-10H,3-8,19H2,1-2H3
InChIKeyVTFMEBMJWNPELR-UHFFFAOYSA-N
XLogP-0.05
TPSA85.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-(4-methylpiperazin-1-yl)pyrido[1,2-c]pyrimidine-1,3-dione?
The IUPAC name of 2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-(4-methylpiperazin-1-yl)pyrido[1,2-c]pyrimidine-1,3-dione (CID 22560341) is 2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-(4-methylpiperazin-1-yl)pyrido[1,2-c]pyrimidine-1,3-dione.
What is the SMILES notation for 2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-(4-methylpiperazin-1-yl)pyrido[1,2-c]pyrimidine-1,3-dione?
The canonical SMILES for 2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-(4-methylpiperazin-1-yl)pyrido[1,2-c]pyrimidine-1,3-dione is COc1c(N2CCN(C)CC2)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12.
What is the InChIKey of 2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-(4-methylpiperazin-1-yl)pyrido[1,2-c]pyrimidine-1,3-dione?
The InChIKey is VTFMEBMJWNPELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O3/c1-20-5-7-21(8-6-20)13-11(18)9-22-14(15(13)26-2)12(10-3-4-10)16(24)23(19)17(22)25/h9-10H,3-8,19H2,1-2H3.
What are the key properties of 2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-(4-methylpiperazin-1-yl)pyrido[1,2-c]pyrimidine-1,3-dione?
2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-(4-methylpiperazin-1-yl)pyrido[1,2-c]pyrimidine-1,3-dione has a molecular weight of 363.39 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-(4-methylpiperazin-1-yl)pyrido[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 22560341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).