5-methyl-2-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine

C15H28N4 — CID 83146362

IUPAC5-methyl-2-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine
SMILESCCCc1nc(N)c(C)c(NCC(C)C(C)(C)C)n1
InChIInChI=1S/C15H28N4/c1-7-8-12-18-13(16)11(3)14(19-12)17-9-10(2)15(4,5)6/h10H,7-9H2,1-6H3,(H3,16,17,18,19)
InChIKeyYBSUGGPBYPWDJU-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.41
Rot. Bonds5

About 5-methyl-2-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine

5-methyl-2-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine (PubChem CID 83146362) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 5-methyl-2-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-methyl-2-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine
PubChem CID83146362
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name5-methyl-2-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine
SMILESCCCc1nc(N)c(C)c(NCC(C)C(C)(C)C)n1
InChIInChI=1S/C15H28N4/c1-7-8-12-18-13(16)11(3)14(19-12)17-9-10(2)15(4,5)6/h10H,7-9H2,1-6H3,(H3,16,17,18,19)
InChIKeyYBSUGGPBYPWDJU-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-Chloro-2-Cyclopropyl-5-Methyl-N-Propylpyrimidin-4-Amine
CID 80970780
N,2-dicyclopropyl-6-(4,4-dimethyl-1-piperidinyl)-5-methyl-4-pyrimidinamine
CID 10236511
N,2-dicyclopropyl-5-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-amine
CID 44409755
6-chloro-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80970089
2-N,4-N-diethyl-6-fluoro-5-methylpyrimidine-2,4-diamine
CID 15274270
2,5-dimethyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80776871
2,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80777184
6-N,2,5-trimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80785398
6-N-ethyl-2,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80785540
2,5-dimethyl-4-N,6-N-dipropyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80790083
4-N,2,5-trimethyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80791153
2,5-dimethyl-4-N-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80791260

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-methyl-2-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine (CID 83146362) is 5-methyl-2-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-methyl-2-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-methyl-2-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine is CCCc1nc(N)c(C)c(NCC(C)C(C)(C)C)n1.
What is the InChIKey of 5-methyl-2-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine?
The InChIKey is YBSUGGPBYPWDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-7-8-12-18-13(16)11(3)14(19-12)17-9-10(2)15(4,5)6/h10H,7-9H2,1-6H3,(H3,16,17,18,19).
What are the key properties of 5-methyl-2-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine?
5-methyl-2-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine has a molecular weight of 264.42 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 83146362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).