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

C22H20FN5O2S — CID 10113968

IUPAC2-amino-6-[5-[2-(aminomethyl)-3-pyridinyl]thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione
SMILESCc1c(-c2ccc(-c3cccnc3CN)s2)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12
InChIInChI=1S/C22H20FN5O2S/c1-11-18(17-7-6-16(31-17)13-3-2-8-26-15(13)9-24)14(23)10-27-20(11)19(12-4-5-12)21(29)28(25)22(27)30/h2-3,6-8,10,12H,4-5,9,24-25H2,1H3
InChIKeyGFHXHAHAEBRFLC-UHFFFAOYSA-N
MW437.50 g/mol
LogP2.75
Rot. Bonds4

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

2-amino-6-[5-[2-(aminomethyl)-3-pyridinyl]thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione (PubChem CID 10113968) has the molecular formula C22H20FN5O2S and a molecular weight of 437.50 g/mol. Its IUPAC name is 2-amino-6-[5-[2-(aminomethyl)-3-pyridinyl]thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name2-amino-6-[5-[2-(aminomethyl)-3-pyridinyl]thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione
PubChem CID10113968
Molecular FormulaC22H20FN5O2S
Molecular Weight437.50 g/mol
Exact Mass437.13
IUPAC Name2-amino-6-[5-[2-(aminomethyl)-3-pyridinyl]thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione
SMILESCc1c(-c2ccc(-c3cccnc3CN)s2)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12
InChIInChI=1S/C22H20FN5O2S/c1-11-18(17-7-6-16(31-17)13-3-2-8-26-15(13)9-24)14(23)10-27-20(11)19(12-4-5-12)21(29)28(25)22(27)30/h2-3,6-8,10,12H,4-5,9,24-25H2,1H3
InChIKeyGFHXHAHAEBRFLC-UHFFFAOYSA-N
XLogP2.75
TPSA108.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[5-[2-(aminomethyl)-3-pyridinyl]thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione?
The IUPAC name of 2-amino-6-[5-[2-(aminomethyl)-3-pyridinyl]thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione (CID 10113968) is 2-amino-6-[5-[2-(aminomethyl)-3-pyridinyl]thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione.
What is the SMILES notation for 2-amino-6-[5-[2-(aminomethyl)-3-pyridinyl]thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione?
The canonical SMILES for 2-amino-6-[5-[2-(aminomethyl)-3-pyridinyl]thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione is Cc1c(-c2ccc(-c3cccnc3CN)s2)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12.
What is the InChIKey of 2-amino-6-[5-[2-(aminomethyl)-3-pyridinyl]thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione?
The InChIKey is GFHXHAHAEBRFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2S/c1-11-18(17-7-6-16(31-17)13-3-2-8-26-15(13)9-24)14(23)10-27-20(11)19(12-4-5-12)21(29)28(25)22(27)30/h2-3,6-8,10,12H,4-5,9,24-25H2,1H3.
What are the key properties of 2-amino-6-[5-[2-(aminomethyl)-3-pyridinyl]thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione?
2-amino-6-[5-[2-(aminomethyl)-3-pyridinyl]thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione has a molecular weight of 437.50 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[5-[2-(aminomethyl)-3-pyridinyl]thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 10113968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).