4-N-(3-methyl-2-propan-2-ylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine

C15H28N4 — CID 102908901

IUPAC4-N-(3-methyl-2-propan-2-ylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)c1c(N)ncnc1NCC(C(C)C)C(C)C
InChIInChI=1S/C15H28N4/c1-9(2)12(10(3)4)7-17-15-13(11(5)6)14(16)18-8-19-15/h8-12H,7H2,1-6H3,(H3,16,17,18,19)
InChIKeyWHORYWZENGMNCK-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.52
Rot. Bonds6

About 4-N-(3-methyl-2-propan-2-ylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine

4-N-(3-methyl-2-propan-2-ylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 102908901) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 4-N-(3-methyl-2-propan-2-ylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-methyl-2-propan-2-ylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID102908901
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name4-N-(3-methyl-2-propan-2-ylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)c1c(N)ncnc1NCC(C(C)C)C(C)C
InChIInChI=1S/C15H28N4/c1-9(2)12(10(3)4)7-17-15-13(11(5)6)14(16)18-8-19-15/h8-12H,7H2,1-6H3,(H3,16,17,18,19)
InChIKeyWHORYWZENGMNCK-UHFFFAOYSA-N
XLogP3.52
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methyl-2-propan-2-ylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-methyl-2-propan-2-ylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine (CID 102908901) is 4-N-(3-methyl-2-propan-2-ylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-methyl-2-propan-2-ylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-methyl-2-propan-2-ylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine is CC(C)c1c(N)ncnc1NCC(C(C)C)C(C)C.
What is the InChIKey of 4-N-(3-methyl-2-propan-2-ylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is WHORYWZENGMNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-9(2)12(10(3)4)7-17-15-13(11(5)6)14(16)18-8-19-15/h8-12H,7H2,1-6H3,(H3,16,17,18,19).
What are the key properties of 4-N-(3-methyl-2-propan-2-ylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine?
4-N-(3-methyl-2-propan-2-ylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 264.42 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methyl-2-propan-2-ylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 102908901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).