N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine

C19H30N6 — CID 133477612

IUPACN-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine
SMILESCc1nn(C(C)(C)C)cc1C(C)Nc1cc(N2CCCCC2)ncn1
InChIInChI=1S/C19H30N6/c1-14(16-12-25(19(3,4)5)23-15(16)2)22-17-11-18(21-13-20-17)24-9-7-6-8-10-24/h11-14H,6-10H2,1-5H3,(H,20,21,22)
InChIKeyUABMIJNKJHYHIJ-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.90
Rot. Bonds4

About N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine

N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine (PubChem CID 133477612) has the molecular formula C19H30N6 and a molecular weight of 342.49 g/mol. Its IUPAC name is N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine
PubChem CID133477612
Molecular FormulaC19H30N6
Molecular Weight342.49 g/mol
Exact Mass342.25
IUPAC NameN-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine
SMILESCc1nn(C(C)(C)C)cc1C(C)Nc1cc(N2CCCCC2)ncn1
InChIInChI=1S/C19H30N6/c1-14(16-12-25(19(3,4)5)23-15(16)2)22-17-11-18(21-13-20-17)24-9-7-6-8-10-24/h11-14H,6-10H2,1-5H3,(H,20,21,22)
InChIKeyUABMIJNKJHYHIJ-UHFFFAOYSA-N
XLogP3.90
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-phenylethyl)-6-piperidin-1-ylpyrimidin-4-amine
CID 112856019
6-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine
CID 112859333
4-(azepan-1-yl)-N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-methoxy-1,3,5-triazin-2-amine
CID 133477460
N-[1-(2-bromophenyl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 133290454
N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-chloropyridin-2-amine
CID 133477273
N-[1-(3,4-dimethoxyphenyl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133297281
(2R)-4-methyl-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]pentanoic acid
CID 120964190
5-bromo-N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine
CID 154736177
[6-(azepan-1-yl)pyrimidin-4-yl]hydrazine
CID 80927859
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-6-piperidin-1-ylpyrimidin-4-amine
CID 50973519
6-piperidin-1-yl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112856096
1-propan-2-yl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide
CID 122327738

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine (CID 133477612) is N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine is Cc1nn(C(C)(C)C)cc1C(C)Nc1cc(N2CCCCC2)ncn1.
What is the InChIKey of N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is UABMIJNKJHYHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6/c1-14(16-12-25(19(3,4)5)23-15(16)2)22-17-11-18(21-13-20-17)24-9-7-6-8-10-24/h11-14H,6-10H2,1-5H3,(H,20,21,22).
What are the key properties of N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine?
N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 342.49 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 133477612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).