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

C18H18FN5O3 — CID 22560142

IUPAC2-amino-6-[4-(aminomethyl)-2-pyridinyl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
SMILESCOc1c(-c2cc(CN)ccn2)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12
InChIInChI=1S/C18H18FN5O3/c1-27-16-14(12-6-9(7-20)4-5-22-12)11(19)8-23-15(16)13(10-2-3-10)17(25)24(21)18(23)26/h4-6,8,10H,2-3,7,20-21H2,1H3
InChIKeyAEALXKRSXCYRPB-UHFFFAOYSA-N
MW371.37 g/mol
LogP0.72
Rot. Bonds4

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

2-amino-6-[4-(aminomethyl)-2-pyridinyl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione (PubChem CID 22560142) has the molecular formula C18H18FN5O3 and a molecular weight of 371.37 g/mol. Its IUPAC name is 2-amino-6-[4-(aminomethyl)-2-pyridinyl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name2-amino-6-[4-(aminomethyl)-2-pyridinyl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
PubChem CID22560142
Molecular FormulaC18H18FN5O3
Molecular Weight371.37 g/mol
Exact Mass371.14
IUPAC Name2-amino-6-[4-(aminomethyl)-2-pyridinyl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
SMILESCOc1c(-c2cc(CN)ccn2)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12
InChIInChI=1S/C18H18FN5O3/c1-27-16-14(12-6-9(7-20)4-5-22-12)11(19)8-23-15(16)13(10-2-3-10)17(25)24(21)18(23)26/h4-6,8,10H,2-3,7,20-21H2,1H3
InChIKeyAEALXKRSXCYRPB-UHFFFAOYSA-N
XLogP0.72
TPSA117.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[4-(aminomethyl)-2-pyridinyl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
The IUPAC name of 2-amino-6-[4-(aminomethyl)-2-pyridinyl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione (CID 22560142) is 2-amino-6-[4-(aminomethyl)-2-pyridinyl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione.
What is the SMILES notation for 2-amino-6-[4-(aminomethyl)-2-pyridinyl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
The canonical SMILES for 2-amino-6-[4-(aminomethyl)-2-pyridinyl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione is COc1c(-c2cc(CN)ccn2)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12.
What is the InChIKey of 2-amino-6-[4-(aminomethyl)-2-pyridinyl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
The InChIKey is AEALXKRSXCYRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O3/c1-27-16-14(12-6-9(7-20)4-5-22-12)11(19)8-23-15(16)13(10-2-3-10)17(25)24(21)18(23)26/h4-6,8,10H,2-3,7,20-21H2,1H3.
What are the key properties of 2-amino-6-[4-(aminomethyl)-2-pyridinyl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
2-amino-6-[4-(aminomethyl)-2-pyridinyl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione has a molecular weight of 371.37 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[4-(aminomethyl)-2-pyridinyl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 22560142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).