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

C17H17FN6O3 — CID 22560430

IUPAC2-amino-6-[2-(aminomethyl)pyrimidin-5-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
SMILESCOc1c(-c2cnc(CN)nc2)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12
InChIInChI=1S/C17H17FN6O3/c1-27-15-12(9-5-21-11(4-19)22-6-9)10(18)7-23-14(15)13(8-2-3-8)16(25)24(20)17(23)26/h5-8H,2-4,19-20H2,1H3
InChIKeyPFBDQAKQAJAPMK-UHFFFAOYSA-N
MW372.36 g/mol
LogP0.12
Rot. Bonds4

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

2-amino-6-[2-(aminomethyl)pyrimidin-5-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione (PubChem CID 22560430) has the molecular formula C17H17FN6O3 and a molecular weight of 372.36 g/mol. Its IUPAC name is 2-amino-6-[2-(aminomethyl)pyrimidin-5-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name2-amino-6-[2-(aminomethyl)pyrimidin-5-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
PubChem CID22560430
Molecular FormulaC17H17FN6O3
Molecular Weight372.36 g/mol
Exact Mass372.13
IUPAC Name2-amino-6-[2-(aminomethyl)pyrimidin-5-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
SMILESCOc1c(-c2cnc(CN)nc2)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12
InChIInChI=1S/C17H17FN6O3/c1-27-15-12(9-5-21-11(4-19)22-6-9)10(18)7-23-14(15)13(8-2-3-8)16(25)24(20)17(23)26/h5-8H,2-4,19-20H2,1H3
InChIKeyPFBDQAKQAJAPMK-UHFFFAOYSA-N
XLogP0.12
TPSA130.53 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.36
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[2-(aminomethyl)pyrimidin-5-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
The IUPAC name of 2-amino-6-[2-(aminomethyl)pyrimidin-5-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione (CID 22560430) is 2-amino-6-[2-(aminomethyl)pyrimidin-5-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione.
What is the SMILES notation for 2-amino-6-[2-(aminomethyl)pyrimidin-5-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
The canonical SMILES for 2-amino-6-[2-(aminomethyl)pyrimidin-5-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione is COc1c(-c2cnc(CN)nc2)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12.
What is the InChIKey of 2-amino-6-[2-(aminomethyl)pyrimidin-5-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
The InChIKey is PFBDQAKQAJAPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN6O3/c1-27-15-12(9-5-21-11(4-19)22-6-9)10(18)7-23-14(15)13(8-2-3-8)16(25)24(20)17(23)26/h5-8H,2-4,19-20H2,1H3.
What are the key properties of 2-amino-6-[2-(aminomethyl)pyrimidin-5-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
2-amino-6-[2-(aminomethyl)pyrimidin-5-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione has a molecular weight of 372.36 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[2-(aminomethyl)pyrimidin-5-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 22560430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).