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

C17H32N4 — CID 80967541

IUPAC2-tert-butyl-4-N-hexan-2-yl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCCC(C)Nc1cc(NCCC)nc(C(C)(C)C)n1
InChIInChI=1S/C17H32N4/c1-7-9-10-13(3)19-15-12-14(18-11-8-2)20-16(21-15)17(4,5)6/h12-13H,7-11H2,1-6H3,(H2,18,19,20,21)
InChIKeyAWKBBPYHVFGIDI-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.59
Rot. Bonds8

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

2-tert-butyl-4-N-hexan-2-yl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80967541) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-tert-butyl-4-N-hexan-2-yl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-hexan-2-yl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80967541
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name2-tert-butyl-4-N-hexan-2-yl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCCC(C)Nc1cc(NCCC)nc(C(C)(C)C)n1
InChIInChI=1S/C17H32N4/c1-7-9-10-13(3)19-15-12-14(18-11-8-2)20-16(21-15)17(4,5)6/h12-13H,7-11H2,1-6H3,(H2,18,19,20,21)
InChIKeyAWKBBPYHVFGIDI-UHFFFAOYSA-N
XLogP4.59
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.59
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
4-N-butan-2-yl-2-tert-butyl-6-N-propylpyrimidine-4,6-diamine
CID 80956340
2-tert-butyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955764
4-N-pentan-2-yl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770408
4-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol
CID 106772532
2-tert-butyl-4-N-(1-cyclopropylpropan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80960225
2-tert-butyl-4-N-(2-methylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80960854
4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 80852528
methyl 2-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80961991
6-N-heptan-2-yl-2-N-propylpyridine-2,6-diamine
CID 80803403
4-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 80852755
3-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83180781

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N-hexan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N-hexan-2-yl-6-N-propylpyrimidine-4,6-diamine (CID 80967541) is 2-tert-butyl-4-N-hexan-2-yl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-hexan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N-hexan-2-yl-6-N-propylpyrimidine-4,6-diamine is CCCCC(C)Nc1cc(NCCC)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-N-hexan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is AWKBBPYHVFGIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-7-9-10-13(3)19-15-12-14(18-11-8-2)20-16(21-15)17(4,5)6/h12-13H,7-11H2,1-6H3,(H2,18,19,20,21).
What are the key properties of 2-tert-butyl-4-N-hexan-2-yl-6-N-propylpyrimidine-4,6-diamine?
2-tert-butyl-4-N-hexan-2-yl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 292.47 g/mol, XLogP of 4.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-N-hexan-2-yl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80967541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).