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

C15H28N4 — CID 83146884

IUPAC6-N-methyl-5-propan-2-yl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine
SMILESCNc1ncnc(NCC(C)C(C)(C)C)c1C(C)C
InChIInChI=1S/C15H28N4/c1-10(2)12-13(16-7)18-9-19-14(12)17-8-11(3)15(4,5)6/h9-11H,8H2,1-7H3,(H2,16,17,18,19)
InChIKeyMYMVZCOEPJTBPF-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.74
Rot. Bonds5

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

6-N-methyl-5-propan-2-yl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine (PubChem CID 83146884) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 6-N-methyl-5-propan-2-yl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-5-propan-2-yl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine
PubChem CID83146884
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name6-N-methyl-5-propan-2-yl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine
SMILESCNc1ncnc(NCC(C)C(C)(C)C)c1C(C)C
InChIInChI=1S/C15H28N4/c1-10(2)12-13(16-7)18-9-19-14(12)17-8-11(3)15(4,5)6/h9-11H,8H2,1-7H3,(H2,16,17,18,19)
InChIKeyMYMVZCOEPJTBPF-UHFFFAOYSA-N
XLogP3.74
TPSA49.84 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 ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-5-propan-2-yl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-5-propan-2-yl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine (CID 83146884) is 6-N-methyl-5-propan-2-yl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-5-propan-2-yl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-5-propan-2-yl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine is CNc1ncnc(NCC(C)C(C)(C)C)c1C(C)C.
What is the InChIKey of 6-N-methyl-5-propan-2-yl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine?
The InChIKey is MYMVZCOEPJTBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-10(2)12-13(16-7)18-9-19-14(12)17-8-11(3)15(4,5)6/h9-11H,8H2,1-7H3,(H2,16,17,18,19).
What are the key properties of 6-N-methyl-5-propan-2-yl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine?
6-N-methyl-5-propan-2-yl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine has a molecular weight of 264.42 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-5-propan-2-yl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 83146884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).