2-propyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine

C15H28N4 — CID 80955169

IUPAC2-propyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(NC(C)(C)CC(C)(C)C)n1
InChIInChI=1S/C15H28N4/c1-7-8-12-17-11(16)9-13(18-12)19-15(5,6)10-14(2,3)4/h9H,7-8,10H2,1-6H3,(H3,16,17,18,19)
InChIKeyDCYXTHSBVCDACP-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.64
Rot. Bonds5

About 2-propyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine

2-propyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine (PubChem CID 80955169) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 2-propyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-propyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine
PubChem CID80955169
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name2-propyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(NC(C)(C)CC(C)(C)C)n1
InChIInChI=1S/C15H28N4/c1-7-8-12-17-11(16)9-13(18-12)19-15(5,6)10-14(2,3)4/h9H,7-8,10H2,1-6H3,(H3,16,17,18,19)
InChIKeyDCYXTHSBVCDACP-UHFFFAOYSA-N
XLogP3.64
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947336
2-propylpyrimidine-4,6-diamine
CID 67304918
1-[(6-amino-2-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
CID 107159526
4-N-decyl-2-propylpyrimidine-4,6-diamine
CID 80943780
3-[(6-amino-2-propylpyrimidin-4-yl)amino]propan-1-ol
CID 80954273
1-[(6-amino-2-propylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 114169930
4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine
CID 80811854
2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-2-methylpropan-1-ol
CID 80954643
4-N-cyclopropyl-2-propylpyrimidine-4,6-diamine
CID 80945616
4-N-[(2-ethylphenyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80949951
4-N-(2-methylbutan-2-yl)pyrimidine-2,4,6-triamine
CID 80768145
4-N-(3-cyclopentylpropyl)-2-propylpyrimidine-4,6-diamine
CID 106014934

Frequently Asked Questions

What is the IUPAC name of 2-propyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 2-propyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine (CID 80955169) is 2-propyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-propyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-propyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine is CCCc1nc(N)cc(NC(C)(C)CC(C)(C)C)n1.
What is the InChIKey of 2-propyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine?
The InChIKey is DCYXTHSBVCDACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-7-8-12-17-11(16)9-13(18-12)19-15(5,6)10-14(2,3)4/h9H,7-8,10H2,1-6H3,(H3,16,17,18,19).
What are the key properties of 2-propyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine?
2-propyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine has a molecular weight of 264.42 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80955169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).