4-N-butan-2-yl-2-tert-butyl-6-N-propylpyrimidine-4,6-diamine

C15H28N4 — CID 80956340

IUPAC4-N-butan-2-yl-2-tert-butyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC(C)CC)nc(C(C)(C)C)n1
InChIInChI=1S/C15H28N4/c1-7-9-16-12-10-13(17-11(3)8-2)19-14(18-12)15(4,5)6/h10-11H,7-9H2,1-6H3,(H2,16,17,18,19)
InChIKeyVKTHJWFTDWWLGS-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.81
Rot. Bonds6

About 4-N-butan-2-yl-2-tert-butyl-6-N-propylpyrimidine-4,6-diamine

4-N-butan-2-yl-2-tert-butyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80956340) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 4-N-butan-2-yl-2-tert-butyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-butan-2-yl-2-tert-butyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80956340
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name4-N-butan-2-yl-2-tert-butyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC(C)CC)nc(C(C)(C)C)n1
InChIInChI=1S/C15H28N4/c1-7-9-16-12-10-13(17-11(3)8-2)19-14(18-12)15(4,5)6/h10-11H,7-9H2,1-6H3,(H2,16,17,18,19)
InChIKeyVKTHJWFTDWWLGS-UHFFFAOYSA-N
XLogP3.81
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-4-N-pentan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955654
2-tert-butyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955764
2-tert-butyl-4-N-hexan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80967541
2-tert-butyl-4-N-(2-methylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80960854
2-tert-butyl-4-N-(1-cyclopropylpropan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80960225
4-N-pentan-2-yl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770408
methyl 2-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80961991
4-N-butan-2-yl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879173
4-N-(3-methylpentan-2-yl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771174
2-tert-butyl-4-N-(3-methylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 106332144
2-tert-butyl-4-N-propylpyrimidine-4,6-diamine
CID 80957078
4-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol
CID 106772532

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-2-tert-butyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-butan-2-yl-2-tert-butyl-6-N-propylpyrimidine-4,6-diamine (CID 80956340) is 4-N-butan-2-yl-2-tert-butyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-butan-2-yl-2-tert-butyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-butan-2-yl-2-tert-butyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NC(C)CC)nc(C(C)(C)C)n1.
What is the InChIKey of 4-N-butan-2-yl-2-tert-butyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is VKTHJWFTDWWLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-7-9-16-12-10-13(17-11(3)8-2)19-14(18-12)15(4,5)6/h10-11H,7-9H2,1-6H3,(H2,16,17,18,19).
What are the key properties of 4-N-butan-2-yl-2-tert-butyl-6-N-propylpyrimidine-4,6-diamine?
4-N-butan-2-yl-2-tert-butyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 264.42 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-2-tert-butyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80956340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).