N-[(2-tert-butylpyrimidin-5-yl)methyl]-3-cyclohexyl-1-methylpyrazol-5-amine

C19H29N5 — CID 132971285

IUPACN-[(2-tert-butylpyrimidin-5-yl)methyl]-3-cyclohexyl-1-methylpyrazol-5-amine
SMILESCn1nc(C2CCCCC2)cc1NCc1cnc(C(C)(C)C)nc1
InChIInChI=1S/C19H29N5/c1-19(2,3)18-21-12-14(13-22-18)11-20-17-10-16(23-24(17)4)15-8-6-5-7-9-15/h10,12-13,15,20H,5-9,11H2,1-4H3
InChIKeyLCWUPSHOISPYLD-UHFFFAOYSA-N
MW327.48 g/mol
LogP4.17
Rot. Bonds4

About N-[(2-tert-butylpyrimidin-5-yl)methyl]-3-cyclohexyl-1-methylpyrazol-5-amine

N-[(2-tert-butylpyrimidin-5-yl)methyl]-3-cyclohexyl-1-methylpyrazol-5-amine (PubChem CID 132971285) has the molecular formula C19H29N5 and a molecular weight of 327.48 g/mol. Its IUPAC name is N-[(2-tert-butylpyrimidin-5-yl)methyl]-3-cyclohexyl-1-methylpyrazol-5-amine.

Molecular Properties

Compound NameN-[(2-tert-butylpyrimidin-5-yl)methyl]-3-cyclohexyl-1-methylpyrazol-5-amine
PubChem CID132971285
Molecular FormulaC19H29N5
Molecular Weight327.48 g/mol
Exact Mass327.24
IUPAC NameN-[(2-tert-butylpyrimidin-5-yl)methyl]-3-cyclohexyl-1-methylpyrazol-5-amine
SMILESCn1nc(C2CCCCC2)cc1NCc1cnc(C(C)(C)C)nc1
InChIInChI=1S/C19H29N5/c1-19(2,3)18-21-12-14(13-22-18)11-20-17-10-16(23-24(17)4)15-8-6-5-7-9-15/h10,12-13,15,20H,5-9,11H2,1-4H3
InChIKeyLCWUPSHOISPYLD-UHFFFAOYSA-N
XLogP4.17
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butylpyrimidin-5-yl)methyl]-3-cyclohexyl-1-methylpyrazol-5-amine?
The IUPAC name of N-[(2-tert-butylpyrimidin-5-yl)methyl]-3-cyclohexyl-1-methylpyrazol-5-amine (CID 132971285) is N-[(2-tert-butylpyrimidin-5-yl)methyl]-3-cyclohexyl-1-methylpyrazol-5-amine.
What is the SMILES notation for N-[(2-tert-butylpyrimidin-5-yl)methyl]-3-cyclohexyl-1-methylpyrazol-5-amine?
The canonical SMILES for N-[(2-tert-butylpyrimidin-5-yl)methyl]-3-cyclohexyl-1-methylpyrazol-5-amine is Cn1nc(C2CCCCC2)cc1NCc1cnc(C(C)(C)C)nc1.
What is the InChIKey of N-[(2-tert-butylpyrimidin-5-yl)methyl]-3-cyclohexyl-1-methylpyrazol-5-amine?
The InChIKey is LCWUPSHOISPYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5/c1-19(2,3)18-21-12-14(13-22-18)11-20-17-10-16(23-24(17)4)15-8-6-5-7-9-15/h10,12-13,15,20H,5-9,11H2,1-4H3.
What are the key properties of N-[(2-tert-butylpyrimidin-5-yl)methyl]-3-cyclohexyl-1-methylpyrazol-5-amine?
N-[(2-tert-butylpyrimidin-5-yl)methyl]-3-cyclohexyl-1-methylpyrazol-5-amine has a molecular weight of 327.48 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butylpyrimidin-5-yl)methyl]-3-cyclohexyl-1-methylpyrazol-5-amine is sourced from PubChem (CID 132971285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).