N-[4-(5-cyclopentyloxy-6-methyl-3-pyridinyl)-2-pyridinyl]-2-methylpyrimidin-4-amine

C21H23N5O — CID 118249299

IUPACN-[4-(5-cyclopentyloxy-6-methyl-3-pyridinyl)-2-pyridinyl]-2-methylpyrimidin-4-amine
SMILESCc1nccc(Nc2cc(-c3cnc(C)c(OC4CCCC4)c3)ccn2)n1
InChIInChI=1S/C21H23N5O/c1-14-19(27-18-5-3-4-6-18)11-17(13-24-14)16-7-9-23-21(12-16)26-20-8-10-22-15(2)25-20/h7-13,18H,3-6H2,1-2H3,(H,22,23,25,26)
InChIKeyMGRHSNQEMSKJFW-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.62
Rot. Bonds5

About N-[4-(5-cyclopentyloxy-6-methyl-3-pyridinyl)-2-pyridinyl]-2-methylpyrimidin-4-amine

N-[4-(5-cyclopentyloxy-6-methyl-3-pyridinyl)-2-pyridinyl]-2-methylpyrimidin-4-amine (PubChem CID 118249299) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[4-(5-cyclopentyloxy-6-methyl-3-pyridinyl)-2-pyridinyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-(5-cyclopentyloxy-6-methyl-3-pyridinyl)-2-pyridinyl]-2-methylpyrimidin-4-amine
PubChem CID118249299
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC NameN-[4-(5-cyclopentyloxy-6-methyl-3-pyridinyl)-2-pyridinyl]-2-methylpyrimidin-4-amine
SMILESCc1nccc(Nc2cc(-c3cnc(C)c(OC4CCCC4)c3)ccn2)n1
InChIInChI=1S/C21H23N5O/c1-14-19(27-18-5-3-4-6-18)11-17(13-24-14)16-7-9-23-21(12-16)26-20-8-10-22-15(2)25-20/h7-13,18H,3-6H2,1-2H3,(H,22,23,25,26)
InChIKeyMGRHSNQEMSKJFW-UHFFFAOYSA-N
XLogP4.62
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-cyclopentyloxy-6-methyl-3-pyridinyl)-2-pyridinyl]-2-methylpyrimidin-4-amine?
The IUPAC name of N-[4-(5-cyclopentyloxy-6-methyl-3-pyridinyl)-2-pyridinyl]-2-methylpyrimidin-4-amine (CID 118249299) is N-[4-(5-cyclopentyloxy-6-methyl-3-pyridinyl)-2-pyridinyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[4-(5-cyclopentyloxy-6-methyl-3-pyridinyl)-2-pyridinyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[4-(5-cyclopentyloxy-6-methyl-3-pyridinyl)-2-pyridinyl]-2-methylpyrimidin-4-amine is Cc1nccc(Nc2cc(-c3cnc(C)c(OC4CCCC4)c3)ccn2)n1.
What is the InChIKey of N-[4-(5-cyclopentyloxy-6-methyl-3-pyridinyl)-2-pyridinyl]-2-methylpyrimidin-4-amine?
The InChIKey is MGRHSNQEMSKJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-14-19(27-18-5-3-4-6-18)11-17(13-24-14)16-7-9-23-21(12-16)26-20-8-10-22-15(2)25-20/h7-13,18H,3-6H2,1-2H3,(H,22,23,25,26).
What are the key properties of N-[4-(5-cyclopentyloxy-6-methyl-3-pyridinyl)-2-pyridinyl]-2-methylpyrimidin-4-amine?
N-[4-(5-cyclopentyloxy-6-methyl-3-pyridinyl)-2-pyridinyl]-2-methylpyrimidin-4-amine has a molecular weight of 361.45 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-cyclopentyloxy-6-methyl-3-pyridinyl)-2-pyridinyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 118249299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).