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

C18H18FN3O3S — CID 22560445

IUPAC6-[4-(1-aminoethyl)thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
SMILESCOc1c(-c2cc(C(C)N)cs2)c(F)cn2c(=O)[nH]c(=O)c(C3CC3)c12
InChIInChI=1S/C18H18FN3O3S/c1-8(20)10-5-12(26-7-10)14-11(19)6-22-15(16(14)25-2)13(9-3-4-9)17(23)21-18(22)24/h5-9H,3-4,20H2,1-2H3,(H,21,23,24)
InChIKeyGZLAAVPEYXSVCC-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.76
Rot. Bonds4

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

6-[4-(1-aminoethyl)thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione (PubChem CID 22560445) has the molecular formula C18H18FN3O3S and a molecular weight of 375.43 g/mol. Its IUPAC name is 6-[4-(1-aminoethyl)thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name6-[4-(1-aminoethyl)thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
PubChem CID22560445
Molecular FormulaC18H18FN3O3S
Molecular Weight375.43 g/mol
Exact Mass375.11
IUPAC Name6-[4-(1-aminoethyl)thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
SMILESCOc1c(-c2cc(C(C)N)cs2)c(F)cn2c(=O)[nH]c(=O)c(C3CC3)c12
InChIInChI=1S/C18H18FN3O3S/c1-8(20)10-5-12(26-7-10)14-11(19)6-22-15(16(14)25-2)13(9-3-4-9)17(23)21-18(22)24/h5-9H,3-4,20H2,1-2H3,(H,21,23,24)
InChIKeyGZLAAVPEYXSVCC-UHFFFAOYSA-N
XLogP2.76
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-aminoethyl)thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
The IUPAC name of 6-[4-(1-aminoethyl)thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione (CID 22560445) is 6-[4-(1-aminoethyl)thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione.
What is the SMILES notation for 6-[4-(1-aminoethyl)thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
The canonical SMILES for 6-[4-(1-aminoethyl)thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione is COc1c(-c2cc(C(C)N)cs2)c(F)cn2c(=O)[nH]c(=O)c(C3CC3)c12.
What is the InChIKey of 6-[4-(1-aminoethyl)thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
The InChIKey is GZLAAVPEYXSVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3S/c1-8(20)10-5-12(26-7-10)14-11(19)6-22-15(16(14)25-2)13(9-3-4-9)17(23)21-18(22)24/h5-9H,3-4,20H2,1-2H3,(H,21,23,24).
What are the key properties of 6-[4-(1-aminoethyl)thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
6-[4-(1-aminoethyl)thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione has a molecular weight of 375.43 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-aminoethyl)thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 22560445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).