1-(2-cyclohexylpyrimidin-5-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylmethanamine

C19H29N5 — CID 77085902

IUPAC1-(2-cyclohexylpyrimidin-5-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylmethanamine
SMILESCCn1ncc(CN(C)Cc2cnc(C3CCCCC3)nc2)c1C
InChIInChI=1S/C19H29N5/c1-4-24-15(2)18(12-22-24)14-23(3)13-16-10-20-19(21-11-16)17-8-6-5-7-9-17/h10-12,17H,4-9,13-14H2,1-3H3
InChIKeyJZANWRNAUYQLJE-UHFFFAOYSA-N
MW327.48 g/mol
LogP3.68
Rot. Bonds6

About 1-(2-cyclohexylpyrimidin-5-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylmethanamine

1-(2-cyclohexylpyrimidin-5-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylmethanamine (PubChem CID 77085902) has the molecular formula C19H29N5 and a molecular weight of 327.48 g/mol. Its IUPAC name is 1-(2-cyclohexylpyrimidin-5-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-cyclohexylpyrimidin-5-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylmethanamine
PubChem CID77085902
Molecular FormulaC19H29N5
Molecular Weight327.48 g/mol
Exact Mass327.24
IUPAC Name1-(2-cyclohexylpyrimidin-5-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylmethanamine
SMILESCCn1ncc(CN(C)Cc2cnc(C3CCCCC3)nc2)c1C
InChIInChI=1S/C19H29N5/c1-4-24-15(2)18(12-22-24)14-23(3)13-16-10-20-19(21-11-16)17-8-6-5-7-9-17/h10-12,17H,4-9,13-14H2,1-3H3
InChIKeyJZANWRNAUYQLJE-UHFFFAOYSA-N
XLogP3.68
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylpyrimidin-5-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylmethanamine?
The IUPAC name of 1-(2-cyclohexylpyrimidin-5-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylmethanamine (CID 77085902) is 1-(2-cyclohexylpyrimidin-5-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(2-cyclohexylpyrimidin-5-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-(2-cyclohexylpyrimidin-5-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylmethanamine is CCn1ncc(CN(C)Cc2cnc(C3CCCCC3)nc2)c1C.
What is the InChIKey of 1-(2-cyclohexylpyrimidin-5-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylmethanamine?
The InChIKey is JZANWRNAUYQLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5/c1-4-24-15(2)18(12-22-24)14-23(3)13-16-10-20-19(21-11-16)17-8-6-5-7-9-17/h10-12,17H,4-9,13-14H2,1-3H3.
What are the key properties of 1-(2-cyclohexylpyrimidin-5-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylmethanamine?
1-(2-cyclohexylpyrimidin-5-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylmethanamine has a molecular weight of 327.48 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylpyrimidin-5-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylmethanamine is sourced from PubChem (CID 77085902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).