2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-(4-propan-2-ylphenyl)pyrimidin-4-amine

C26H29N5 — CID 70977543

IUPAC2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-(4-propan-2-ylphenyl)pyrimidin-4-amine
SMILESCc1nc(NC(C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccc(C(C)C)cc2)n1
InChIInChI=1S/C26H29N5/c1-17(2)20-9-11-21(12-10-20)25-14-26(30-19(4)29-25)28-18(3)22-7-6-8-23(13-22)24-15-27-31(5)16-24/h6-18H,1-5H3,(H,28,29,30)
InChIKeyLRMJRVNXBHTUIG-UHFFFAOYSA-N
MW411.55 g/mol
LogP6.15
Rot. Bonds6

About 2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-(4-propan-2-ylphenyl)pyrimidin-4-amine

2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-(4-propan-2-ylphenyl)pyrimidin-4-amine (PubChem CID 70977543) has the molecular formula C26H29N5 and a molecular weight of 411.55 g/mol. Its IUPAC name is 2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-(4-propan-2-ylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-(4-propan-2-ylphenyl)pyrimidin-4-amine
PubChem CID70977543
Molecular FormulaC26H29N5
Molecular Weight411.55 g/mol
Exact Mass411.24
IUPAC Name2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-(4-propan-2-ylphenyl)pyrimidin-4-amine
SMILESCc1nc(NC(C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccc(C(C)C)cc2)n1
InChIInChI=1S/C26H29N5/c1-17(2)20-9-11-21(12-10-20)25-14-26(30-19(4)29-25)28-18(3)22-7-6-8-23(13-22)24-15-27-31(5)16-24/h6-18H,1-5H3,(H,28,29,30)
InChIKeyLRMJRVNXBHTUIG-UHFFFAOYSA-N
XLogP6.15
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.55
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-(4-propan-2-ylphenyl)pyrimidin-4-amine with MolForge

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Related Compounds

6-(3-fluorophenyl)-2-methyl-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine
CID 70976846
6-(4-fluoro-3-methylphenyl)-2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine
CID 70978945
6-(1,3-benzothiazol-6-yl)-2-methyl-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine
CID 127035516
N-[(1S)-1-[3-(2-aminopyrimidin-5-yl)phenyl]ethyl]-6-(1,3-benzothiazol-6-yl)-2-methylpyrimidin-4-amine
CID 127035359
N'-[2-methyl-6-(4-propan-2-ylphenyl)pyrimidin-4-yl]ethane-1,2-diamine
CID 96667770
6-(1,3-benzothiazol-6-yl)-2-methyl-N-[(1S)-1-(3-phenylphenyl)ethyl]pyrimidin-4-amine
CID 127035732
2-chloro-6,7-dimethoxy-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]quinazolin-4-amine
CID 169132994
6-(2,3-diethyl-1-benzofuran-5-yl)-2-methyl-N-[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethyl]pyrimidin-4-amine
CID 175167908
6-(4-fluorophenyl)-N-[1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 78076645
6-(1,3-benzothiazol-6-yl)-N-[1-[3-(6-chloro-5-methyl-3-pyridinyl)phenyl]ethyl]-2-methylpyrimidin-4-amine
CID 123977281
N-[(1S)-1-[3-(5-chloro-3-pyridinyl)phenyl]ethyl]-2-methyl-6-(3-methyl-1-benzofuran-5-yl)pyrimidin-4-amine
CID 127024429
6-(1,3-benzothiazol-6-yl)-N-[(1S)-1-[3-(6-fluoro-3-pyridinyl)phenyl]ethyl]-2-methylpyrimidin-4-amine
CID 127036126

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-(4-propan-2-ylphenyl)pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-(4-propan-2-ylphenyl)pyrimidin-4-amine (CID 70977543) is 2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-(4-propan-2-ylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-(4-propan-2-ylphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-(4-propan-2-ylphenyl)pyrimidin-4-amine is Cc1nc(NC(C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccc(C(C)C)cc2)n1.
What is the InChIKey of 2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-(4-propan-2-ylphenyl)pyrimidin-4-amine?
The InChIKey is LRMJRVNXBHTUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5/c1-17(2)20-9-11-21(12-10-20)25-14-26(30-19(4)29-25)28-18(3)22-7-6-8-23(13-22)24-15-27-31(5)16-24/h6-18H,1-5H3,(H,28,29,30).
What are the key properties of 2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-(4-propan-2-ylphenyl)pyrimidin-4-amine?
2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-(4-propan-2-ylphenyl)pyrimidin-4-amine has a molecular weight of 411.55 g/mol, XLogP of 6.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-(4-propan-2-ylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 70977543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).