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

C18H17FN4O3 — CID 22560284

IUPAC6-[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)[nH]c(=O)c(C3CC3)c12
InChIInChI=1S/C18H17FN4O3/c1-26-16-14(12-6-9(7-20)4-5-21-12)11(19)8-23-15(16)13(10-2-3-10)17(24)22-18(23)25/h4-6,8,10H,2-3,7,20H2,1H3,(H,22,24,25)
InChIKeyDQGZFKVSTXEYCP-UHFFFAOYSA-N
MW356.36 g/mol
LogP1.53
Rot. Bonds4

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

6-[4-(aminomethyl)-2-pyridinyl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione (PubChem CID 22560284) has the molecular formula C18H17FN4O3 and a molecular weight of 356.36 g/mol. Its IUPAC name is 6-[4-(aminomethyl)-2-pyridinyl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name6-[4-(aminomethyl)-2-pyridinyl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
PubChem CID22560284
Molecular FormulaC18H17FN4O3
Molecular Weight356.36 g/mol
Exact Mass356.13
IUPAC Name6-[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)[nH]c(=O)c(C3CC3)c12
InChIInChI=1S/C18H17FN4O3/c1-26-16-14(12-6-9(7-20)4-5-21-12)11(19)8-23-15(16)13(10-2-3-10)17(24)22-18(23)25/h4-6,8,10H,2-3,7,20H2,1H3,(H,22,24,25)
InChIKeyDQGZFKVSTXEYCP-UHFFFAOYSA-N
XLogP1.53
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(aminomethyl)-2-pyridinyl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
The IUPAC name of 6-[4-(aminomethyl)-2-pyridinyl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione (CID 22560284) is 6-[4-(aminomethyl)-2-pyridinyl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione.
What is the SMILES notation for 6-[4-(aminomethyl)-2-pyridinyl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
The canonical SMILES for 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)[nH]c(=O)c(C3CC3)c12.
What is the InChIKey of 6-[4-(aminomethyl)-2-pyridinyl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
The InChIKey is DQGZFKVSTXEYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3/c1-26-16-14(12-6-9(7-20)4-5-21-12)11(19)8-23-15(16)13(10-2-3-10)17(24)22-18(23)25/h4-6,8,10H,2-3,7,20H2,1H3,(H,22,24,25).
What are the key properties of 6-[4-(aminomethyl)-2-pyridinyl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
6-[4-(aminomethyl)-2-pyridinyl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione has a molecular weight of 356.36 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(aminomethyl)-2-pyridinyl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 22560284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).