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

C16H30N4 — CID 80955654

IUPAC2-tert-butyl-4-N-pentan-2-yl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC(C)CCC)nc(C(C)(C)C)n1
InChIInChI=1S/C16H30N4/c1-7-9-12(3)18-14-11-13(17-10-8-2)19-15(20-14)16(4,5)6/h11-12H,7-10H2,1-6H3,(H2,17,18,19,20)
InChIKeyDTMJZSUKBHRUBS-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.20
Rot. Bonds7

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

2-tert-butyl-4-N-pentan-2-yl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80955654) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-tert-butyl-4-N-pentan-2-yl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-pentan-2-yl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80955654
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name2-tert-butyl-4-N-pentan-2-yl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC(C)CCC)nc(C(C)(C)C)n1
InChIInChI=1S/C16H30N4/c1-7-9-12(3)18-14-11-13(17-10-8-2)19-15(20-14)16(4,5)6/h11-12H,7-10H2,1-6H3,(H2,17,18,19,20)
InChIKeyDTMJZSUKBHRUBS-UHFFFAOYSA-N
XLogP4.20
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-4-N-hexan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80967541
4-N-pentan-2-yl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770408
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
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-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol
CID 106772532
methyl 2-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80961991
3-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83180781
2-tert-butyl-4-N-(3-methylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 106332144
4-N-(3-methylpentan-2-yl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771174
4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 80852528

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N-pentan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N-pentan-2-yl-6-N-propylpyrimidine-4,6-diamine (CID 80955654) is 2-tert-butyl-4-N-pentan-2-yl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-pentan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N-pentan-2-yl-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NC(C)CCC)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-N-pentan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is DTMJZSUKBHRUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-7-9-12(3)18-14-11-13(17-10-8-2)19-15(20-14)16(4,5)6/h11-12H,7-10H2,1-6H3,(H2,17,18,19,20).
What are the key properties of 2-tert-butyl-4-N-pentan-2-yl-6-N-propylpyrimidine-4,6-diamine?
2-tert-butyl-4-N-pentan-2-yl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 278.44 g/mol, XLogP of 4.20, 7 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-pentan-2-yl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80955654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).