2-tert-butyl-6-hydrazinyl-5-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine

C16H29N5 — CID 81006425

IUPAC2-tert-butyl-6-hydrazinyl-5-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine
SMILESCc1c(NN)nc(C(C)(C)C)nc1NCC1(C)CCCC1
InChIInChI=1S/C16H29N5/c1-11-12(18-10-16(5)8-6-7-9-16)19-14(15(2,3)4)20-13(11)21-17/h6-10,17H2,1-5H3,(H2,18,19,20,21)
InChIKeyXNWOYKVLKMMGQH-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.36
Rot. Bonds4

About 2-tert-butyl-6-hydrazinyl-5-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine

2-tert-butyl-6-hydrazinyl-5-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine (PubChem CID 81006425) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-tert-butyl-6-hydrazinyl-5-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-hydrazinyl-5-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine
PubChem CID81006425
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name2-tert-butyl-6-hydrazinyl-5-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine
SMILESCc1c(NN)nc(C(C)(C)C)nc1NCC1(C)CCCC1
InChIInChI=1S/C16H29N5/c1-11-12(18-10-16(5)8-6-7-9-16)19-14(15(2,3)4)20-13(11)21-17/h6-10,17H2,1-5H3,(H2,18,19,20,21)
InChIKeyXNWOYKVLKMMGQH-UHFFFAOYSA-N
XLogP3.36
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-tert-butyl-6-hydrazinyl-5-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-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-[(1,4-dimethylpiperidin-4-yl)methyl]-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 107165617
N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 107165595
2-tert-butyl-N-(3-ethylpentan-3-yl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 81007026
2-tert-butyl-6-hydrazinyl-5-methyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 81001260
2-tert-butyl-6-hydrazinyl-5-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 81006696
N-[2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 80994504
2-tert-butyl-6-hydrazinyl-5-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
CID 81005936
2-tert-butyl-6-hydrazinyl-5-methyl-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107421345
1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylbutan-2-ol
CID 81006589
6-hydrazinyl-2,5-dimethyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrimidin-4-amine
CID 80928736
2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide
CID 80995102
methyl 2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]acetate
CID 81000583

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-hydrazinyl-5-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-hydrazinyl-5-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine (CID 81006425) is 2-tert-butyl-6-hydrazinyl-5-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-hydrazinyl-5-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-hydrazinyl-5-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine is Cc1c(NN)nc(C(C)(C)C)nc1NCC1(C)CCCC1.
What is the InChIKey of 2-tert-butyl-6-hydrazinyl-5-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine?
The InChIKey is XNWOYKVLKMMGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-11-12(18-10-16(5)8-6-7-9-16)19-14(15(2,3)4)20-13(11)21-17/h6-10,17H2,1-5H3,(H2,18,19,20,21).
What are the key properties of 2-tert-butyl-6-hydrazinyl-5-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine?
2-tert-butyl-6-hydrazinyl-5-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine has a molecular weight of 291.44 g/mol, XLogP of 3.36, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-hydrazinyl-5-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 81006425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).