methyl 6-[6-[2-[4-(6-cyclopropyl-3-pyridinyl)-6-(hydroxymethyl)pyrimidin-2-yl]cyclopropyl]-3-pyridinyl]pyrimidine-4-carboxylate

C27H24N6O3 — CID 146374598

IUPACmethyl 6-[6-[2-[4-(6-cyclopropyl-3-pyridinyl)-6-(hydroxymethyl)pyrimidin-2-yl]cyclopropyl]-3-pyridinyl]pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(C3CC3c3nc(CO)cc(-c4ccc(C5CC5)nc4)n3)nc2)ncn1
InChIInChI=1S/C27H24N6O3/c1-36-27(35)25-10-23(30-14-31-25)16-5-7-22(29-11-16)19-9-20(19)26-32-18(13-34)8-24(33-26)17-4-6-21(28-12-17)15-2-3-15/h4-8,10-12,14-15,19-20,34H,2-3,9,13H2,1H3
InChIKeyFJQCZKAMSCNJFG-UHFFFAOYSA-N
MW480.53 g/mol
LogP3.82
Rot. Bonds7

About methyl 6-[6-[2-[4-(6-cyclopropyl-3-pyridinyl)-6-(hydroxymethyl)pyrimidin-2-yl]cyclopropyl]-3-pyridinyl]pyrimidine-4-carboxylate

methyl 6-[6-[2-[4-(6-cyclopropyl-3-pyridinyl)-6-(hydroxymethyl)pyrimidin-2-yl]cyclopropyl]-3-pyridinyl]pyrimidine-4-carboxylate (PubChem CID 146374598) has the molecular formula C27H24N6O3 and a molecular weight of 480.53 g/mol. Its IUPAC name is methyl 6-[6-[2-[4-(6-cyclopropyl-3-pyridinyl)-6-(hydroxymethyl)pyrimidin-2-yl]cyclopropyl]-3-pyridinyl]pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-[6-[2-[4-(6-cyclopropyl-3-pyridinyl)-6-(hydroxymethyl)pyrimidin-2-yl]cyclopropyl]-3-pyridinyl]pyrimidine-4-carboxylate
PubChem CID146374598
Molecular FormulaC27H24N6O3
Molecular Weight480.53 g/mol
Exact Mass480.19
IUPAC Namemethyl 6-[6-[2-[4-(6-cyclopropyl-3-pyridinyl)-6-(hydroxymethyl)pyrimidin-2-yl]cyclopropyl]-3-pyridinyl]pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(C3CC3c3nc(CO)cc(-c4ccc(C5CC5)nc4)n3)nc2)ncn1
InChIInChI=1S/C27H24N6O3/c1-36-27(35)25-10-23(30-14-31-25)16-5-7-22(29-11-16)19-9-20(19)26-32-18(13-34)8-24(33-26)17-4-6-21(28-12-17)15-2-3-15/h4-8,10-12,14-15,19-20,34H,2-3,9,13H2,1H3
InChIKeyFJQCZKAMSCNJFG-UHFFFAOYSA-N
XLogP3.82
TPSA123.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.53
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 6-[6-[2-[4-(6-cyclopropyl-3-pyridinyl)-6-(hydroxymethyl)pyrimidin-2-yl]cyclopropyl]-3-pyridinyl]pyrimidine-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[6-[2-[4-(6-cyclopropyl-3-pyridinyl)-6-(hydroxymethyl)pyrimidin-2-yl]cyclopropyl]-3-pyridinyl]pyrimidine-4-carboxylate?
The IUPAC name of methyl 6-[6-[2-[4-(6-cyclopropyl-3-pyridinyl)-6-(hydroxymethyl)pyrimidin-2-yl]cyclopropyl]-3-pyridinyl]pyrimidine-4-carboxylate (CID 146374598) is methyl 6-[6-[2-[4-(6-cyclopropyl-3-pyridinyl)-6-(hydroxymethyl)pyrimidin-2-yl]cyclopropyl]-3-pyridinyl]pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 6-[6-[2-[4-(6-cyclopropyl-3-pyridinyl)-6-(hydroxymethyl)pyrimidin-2-yl]cyclopropyl]-3-pyridinyl]pyrimidine-4-carboxylate?
The canonical SMILES for methyl 6-[6-[2-[4-(6-cyclopropyl-3-pyridinyl)-6-(hydroxymethyl)pyrimidin-2-yl]cyclopropyl]-3-pyridinyl]pyrimidine-4-carboxylate is COC(=O)c1cc(-c2ccc(C3CC3c3nc(CO)cc(-c4ccc(C5CC5)nc4)n3)nc2)ncn1.
What is the InChIKey of methyl 6-[6-[2-[4-(6-cyclopropyl-3-pyridinyl)-6-(hydroxymethyl)pyrimidin-2-yl]cyclopropyl]-3-pyridinyl]pyrimidine-4-carboxylate?
The InChIKey is FJQCZKAMSCNJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O3/c1-36-27(35)25-10-23(30-14-31-25)16-5-7-22(29-11-16)19-9-20(19)26-32-18(13-34)8-24(33-26)17-4-6-21(28-12-17)15-2-3-15/h4-8,10-12,14-15,19-20,34H,2-3,9,13H2,1H3.
What are the key properties of methyl 6-[6-[2-[4-(6-cyclopropyl-3-pyridinyl)-6-(hydroxymethyl)pyrimidin-2-yl]cyclopropyl]-3-pyridinyl]pyrimidine-4-carboxylate?
methyl 6-[6-[2-[4-(6-cyclopropyl-3-pyridinyl)-6-(hydroxymethyl)pyrimidin-2-yl]cyclopropyl]-3-pyridinyl]pyrimidine-4-carboxylate has a molecular weight of 480.53 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[6-[2-[4-(6-cyclopropyl-3-pyridinyl)-6-(hydroxymethyl)pyrimidin-2-yl]cyclopropyl]-3-pyridinyl]pyrimidine-4-carboxylate is sourced from PubChem (CID 146374598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).