2-tert-butyl-N-hexan-3-yl-6-hydrazinyl-5-methylpyrimidin-4-amine

C15H29N5 — CID 81006064

IUPAC2-tert-butyl-N-hexan-3-yl-6-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCCCC(CC)Nc1nc(C(C)(C)C)nc(NN)c1C
InChIInChI=1S/C15H29N5/c1-7-9-11(8-2)17-12-10(3)13(20-16)19-14(18-12)15(4,5)6/h11H,7-9,16H2,1-6H3,(H2,17,18,19,20)
InChIKeyHNRWYOLJIKXQJW-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.36
Rot. Bonds6

About 2-tert-butyl-N-hexan-3-yl-6-hydrazinyl-5-methylpyrimidin-4-amine

2-tert-butyl-N-hexan-3-yl-6-hydrazinyl-5-methylpyrimidin-4-amine (PubChem CID 81006064) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-tert-butyl-N-hexan-3-yl-6-hydrazinyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-hexan-3-yl-6-hydrazinyl-5-methylpyrimidin-4-amine
PubChem CID81006064
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC Name2-tert-butyl-N-hexan-3-yl-6-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCCCC(CC)Nc1nc(C(C)(C)C)nc(NN)c1C
InChIInChI=1S/C15H29N5/c1-7-9-11(8-2)17-12-10(3)13(20-16)19-14(18-12)15(4,5)6/h11H,7-9,16H2,1-6H3,(H2,17,18,19,20)
InChIKeyHNRWYOLJIKXQJW-UHFFFAOYSA-N
XLogP3.36
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
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'}

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Related Compounds

2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propane-1,3-diol
CID 81007643
2-tert-butyl-N-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 104830685
2-tert-butyl-6-hydrazinyl-5-methyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 81001260
6-hydrazinyl-N-(1-methoxypentan-2-yl)-2,5-dimethylpyrimidin-4-amine
CID 80918200
2-N-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82950187
2-tert-butyl-N-(3-ethylpentan-3-yl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 81007026
6-N,2-diethyl-4-N-hexan-3-yl-5-methylpyrimidine-4,6-diamine
CID 80982661
6-tert-butyl-2-N-hexan-3-yl-1,3,5-triazine-2,4-diamine
CID 112746179
2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106347652
2-tert-butyl-N-(2-ethoxy-2-methylpropyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 114944808
2-tert-butyl-6-hydrazinyl-5-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 81006696
N-(1-cyclopropylbutan-2-yl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80911806

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-hexan-3-yl-6-hydrazinyl-5-methylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N-hexan-3-yl-6-hydrazinyl-5-methylpyrimidin-4-amine (CID 81006064) is 2-tert-butyl-N-hexan-3-yl-6-hydrazinyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-hexan-3-yl-6-hydrazinyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N-hexan-3-yl-6-hydrazinyl-5-methylpyrimidin-4-amine is CCCC(CC)Nc1nc(C(C)(C)C)nc(NN)c1C.
What is the InChIKey of 2-tert-butyl-N-hexan-3-yl-6-hydrazinyl-5-methylpyrimidin-4-amine?
The InChIKey is HNRWYOLJIKXQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-7-9-11(8-2)17-12-10(3)13(20-16)19-14(18-12)15(4,5)6/h11H,7-9,16H2,1-6H3,(H2,17,18,19,20).
What are the key properties of 2-tert-butyl-N-hexan-3-yl-6-hydrazinyl-5-methylpyrimidin-4-amine?
2-tert-butyl-N-hexan-3-yl-6-hydrazinyl-5-methylpyrimidin-4-amine has a molecular weight of 279.43 g/mol, XLogP of 3.36, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-hexan-3-yl-6-hydrazinyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 81006064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).