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

C14H26N4 — CID 80955764

IUPAC2-tert-butyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC(C)C)nc(C(C)(C)C)n1
InChIInChI=1S/C14H26N4/c1-7-8-15-11-9-12(16-10(2)3)18-13(17-11)14(4,5)6/h9-10H,7-8H2,1-6H3,(H2,15,16,17,18)
InChIKeyCJMVGBNILUTESE-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.42
Rot. Bonds5

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

2-tert-butyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80955764) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-tert-butyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80955764
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name2-tert-butyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC(C)C)nc(C(C)(C)C)n1
InChIInChI=1S/C14H26N4/c1-7-8-15-11-9-12(16-10(2)3)18-13(17-11)14(4,5)6/h9-10H,7-8H2,1-6H3,(H2,15,16,17,18)
InChIKeyCJMVGBNILUTESE-UHFFFAOYSA-N
XLogP3.42
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-butan-2-yl-2-tert-butyl-6-N-propylpyrimidine-4,6-diamine
CID 80956340
2-tert-butyl-4-N-pentan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955654
2-tert-butyl-4-N-(2-methylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80960854
2-tert-butyl-4-N-hexan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80967541
2-tert-butyl-4-N-(1-cyclopropylpropan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80960225
methyl 2-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80961991
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
2-(ethoxymethyl)-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 113401286
2-tert-butyl-N-propan-2-yl-6-propoxypyrimidin-4-amine
CID 82456857
4-N-pentan-2-yl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770408
4-N-(3-methylpentan-2-yl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771174

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine (CID 80955764) is 2-tert-butyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NC(C)C)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is CJMVGBNILUTESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-7-8-15-11-9-12(16-10(2)3)18-13(17-11)14(4,5)6/h9-10H,7-8H2,1-6H3,(H2,15,16,17,18).
What are the key properties of 2-tert-butyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
2-tert-butyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 250.39 g/mol, XLogP of 3.42, 5 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-propan-2-yl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80955764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).