4-N-(3,3-dimethylbutan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine

C13H24N4 — CID 104830574

IUPAC4-N-(3,3-dimethylbutan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)c1c(N)ncnc1NC(C)C(C)(C)C
InChIInChI=1S/C13H24N4/c1-8(2)10-11(14)15-7-16-12(10)17-9(3)13(4,5)6/h7-9H,1-6H3,(H3,14,15,16,17)
InChIKeyOJQCJMNKUJDAAL-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.03
Rot. Bonds3

About 4-N-(3,3-dimethylbutan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine

4-N-(3,3-dimethylbutan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 104830574) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-N-(3,3-dimethylbutan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3,3-dimethylbutan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID104830574
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name4-N-(3,3-dimethylbutan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)c1c(N)ncnc1NC(C)C(C)(C)C
InChIInChI=1S/C13H24N4/c1-8(2)10-11(14)15-7-16-12(10)17-9(3)13(4,5)6/h7-9H,1-6H3,(H3,14,15,16,17)
InChIKeyOJQCJMNKUJDAAL-UHFFFAOYSA-N
XLogP3.03
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3,3-dimethylbutan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3,3-dimethylbutan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine (CID 104830574) is 4-N-(3,3-dimethylbutan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3,3-dimethylbutan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3,3-dimethylbutan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine is CC(C)c1c(N)ncnc1NC(C)C(C)(C)C.
What is the InChIKey of 4-N-(3,3-dimethylbutan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is OJQCJMNKUJDAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-8(2)10-11(14)15-7-16-12(10)17-9(3)13(4,5)6/h7-9H,1-6H3,(H3,14,15,16,17).
What are the key properties of 4-N-(3,3-dimethylbutan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine?
4-N-(3,3-dimethylbutan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 236.36 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,3-dimethylbutan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 104830574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).