2-tert-butyl-N-(cyclobutylmethyl)-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine

C15H27N5 — CID 81006290

IUPAC2-tert-butyl-N-(cyclobutylmethyl)-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine
SMILESCc1c(NN)nc(C(C)(C)C)nc1N(C)CC1CCC1
InChIInChI=1S/C15H27N5/c1-10-12(19-16)17-14(15(2,3)4)18-13(10)20(5)9-11-7-6-8-11/h11H,6-9,16H2,1-5H3,(H,17,18,19)
InChIKeyVCKCKEFFVGAKDC-UHFFFAOYSA-N
MW277.42 g/mol
LogP2.60
Rot. Bonds4

About 2-tert-butyl-N-(cyclobutylmethyl)-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine

2-tert-butyl-N-(cyclobutylmethyl)-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine (PubChem CID 81006290) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 2-tert-butyl-N-(cyclobutylmethyl)-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-(cyclobutylmethyl)-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine
PubChem CID81006290
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name2-tert-butyl-N-(cyclobutylmethyl)-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine
SMILESCc1c(NN)nc(C(C)(C)C)nc1N(C)CC1CCC1
InChIInChI=1S/C15H27N5/c1-10-12(19-16)17-14(15(2,3)4)18-13(10)20(5)9-11-7-6-8-11/h11H,6-9,16H2,1-5H3,(H,17,18,19)
InChIKeyVCKCKEFFVGAKDC-UHFFFAOYSA-N
XLogP2.60
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 81006464
N-(cyclobutylmethyl)-2-ethyl-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine
CID 81006190
2-tert-butyl-6-chloro-N-(cyclobutylmethyl)-N,5-dimethylpyrimidin-4-amine
CID 80972664
1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
CID 81007045
1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol
CID 81006399
6-hydrazinyl-N,2,5-trimethyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine
CID 80910084
2-tert-butyl-6-hydrazinyl-N,5-dimethyl-N-(oxolan-3-yl)pyrimidin-4-amine
CID 82746566
2-tert-butyl-6-hydrazinyl-5-methyl-N,N-dipropylpyrimidin-4-amine
CID 81000249
1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol
CID 80995833
4-N-(cyclobutylmethyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80825264
2-tert-butyl-4-N-cyclopentyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
CID 80993102
4-N-(cyclobutylmethyl)-4-N,6-N,5-trimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80983277

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(cyclobutylmethyl)-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N-(cyclobutylmethyl)-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine (CID 81006290) is 2-tert-butyl-N-(cyclobutylmethyl)-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-(cyclobutylmethyl)-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N-(cyclobutylmethyl)-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine is Cc1c(NN)nc(C(C)(C)C)nc1N(C)CC1CCC1.
What is the InChIKey of 2-tert-butyl-N-(cyclobutylmethyl)-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine?
The InChIKey is VCKCKEFFVGAKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-10-12(19-16)17-14(15(2,3)4)18-13(10)20(5)9-11-7-6-8-11/h11H,6-9,16H2,1-5H3,(H,17,18,19).
What are the key properties of 2-tert-butyl-N-(cyclobutylmethyl)-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine?
2-tert-butyl-N-(cyclobutylmethyl)-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine has a molecular weight of 277.42 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(cyclobutylmethyl)-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 81006290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).