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

C17H16FN5O2 — CID 22560177

IUPAC6-[5-(aminomethyl)pyrimidin-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione
SMILESCc1c(-c2ncc(CN)cn2)c(F)cn2c(=O)[nH]c(=O)c(C3CC3)c12
InChIInChI=1S/C17H16FN5O2/c1-8-12(15-20-5-9(4-19)6-21-15)11(18)7-23-14(8)13(10-2-3-10)16(24)22-17(23)25/h5-7,10H,2-4,19H2,1H3,(H,22,24,25)
InChIKeyAMDLWCIEUZPYIV-UHFFFAOYSA-N
MW341.35 g/mol
LogP1.23
Rot. Bonds3

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

6-[5-(aminomethyl)pyrimidin-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione (PubChem CID 22560177) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is 6-[5-(aminomethyl)pyrimidin-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name6-[5-(aminomethyl)pyrimidin-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione
PubChem CID22560177
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC Name6-[5-(aminomethyl)pyrimidin-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione
SMILESCc1c(-c2ncc(CN)cn2)c(F)cn2c(=O)[nH]c(=O)c(C3CC3)c12
InChIInChI=1S/C17H16FN5O2/c1-8-12(15-20-5-9(4-19)6-21-15)11(18)7-23-14(8)13(10-2-3-10)16(24)22-17(23)25/h5-7,10H,2-4,19H2,1H3,(H,22,24,25)
InChIKeyAMDLWCIEUZPYIV-UHFFFAOYSA-N
XLogP1.23
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(aminomethyl)pyrimidin-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione?
The IUPAC name of 6-[5-(aminomethyl)pyrimidin-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione (CID 22560177) is 6-[5-(aminomethyl)pyrimidin-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione.
What is the SMILES notation for 6-[5-(aminomethyl)pyrimidin-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione?
The canonical SMILES for 6-[5-(aminomethyl)pyrimidin-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione is Cc1c(-c2ncc(CN)cn2)c(F)cn2c(=O)[nH]c(=O)c(C3CC3)c12.
What is the InChIKey of 6-[5-(aminomethyl)pyrimidin-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione?
The InChIKey is AMDLWCIEUZPYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2/c1-8-12(15-20-5-9(4-19)6-21-15)11(18)7-23-14(8)13(10-2-3-10)16(24)22-17(23)25/h5-7,10H,2-4,19H2,1H3,(H,22,24,25).
What are the key properties of 6-[5-(aminomethyl)pyrimidin-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione?
6-[5-(aminomethyl)pyrimidin-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione has a molecular weight of 341.35 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(aminomethyl)pyrimidin-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 22560177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).