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

C13H24N4 — CID 80782939

IUPAC4-N-(4-methylpentan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)CC(C)Nc1ncnc(N)c1C(C)C
InChIInChI=1S/C13H24N4/c1-8(2)6-10(5)17-13-11(9(3)4)12(14)15-7-16-13/h7-10H,6H2,1-5H3,(H3,14,15,16,17)
InChIKeyNSAMXFZNANZPSH-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.03
Rot. Bonds5

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

4-N-(4-methylpentan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80782939) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-N-(4-methylpentan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-methylpentan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80782939
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name4-N-(4-methylpentan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)CC(C)Nc1ncnc(N)c1C(C)C
InChIInChI=1S/C13H24N4/c1-8(2)6-10(5)17-13-11(9(3)4)12(14)15-7-16-13/h7-10H,6H2,1-5H3,(H3,14,15,16,17)
InChIKeyNSAMXFZNANZPSH-UHFFFAOYSA-N
XLogP3.03
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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-(4-methylpentan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-methylpentan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine (CID 80782939) is 4-N-(4-methylpentan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-methylpentan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-methylpentan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine is CC(C)CC(C)Nc1ncnc(N)c1C(C)C.
What is the InChIKey of 4-N-(4-methylpentan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is NSAMXFZNANZPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-8(2)6-10(5)17-13-11(9(3)4)12(14)15-7-16-13/h7-10H,6H2,1-5H3,(H3,14,15,16,17).
What are the key properties of 4-N-(4-methylpentan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine?
4-N-(4-methylpentan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 236.36 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methylpentan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80782939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).