4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine

C11H20N4 — CID 80846918

IUPAC4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine
SMILESCCC(C)CC(C)Nc1ccnc(N)n1
InChIInChI=1S/C11H20N4/c1-4-8(2)7-9(3)14-10-5-6-13-11(12)15-10/h5-6,8-9H,4,7H2,1-3H3,(H3,12,13,14,15)
InChIKeyPMIBHKYHKCJEMI-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.30
Rot. Bonds5

About 4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine

4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine (PubChem CID 80846918) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine
PubChem CID80846918
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine
SMILESCCC(C)CC(C)Nc1ccnc(N)n1
InChIInChI=1S/C11H20N4/c1-4-8(2)7-9(3)14-10-5-6-13-11(12)15-10/h5-6,8-9H,4,7H2,1-3H3,(H3,12,13,14,15)
InChIKeyPMIBHKYHKCJEMI-UHFFFAOYSA-N
XLogP2.30
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-heptan-2-ylpyrimidine-2,4-diamine
CID 80803742
6-N-(4-methylhexan-2-yl)pyridine-2,6-diamine
CID 80647171
4-N-(3,3-dimethylbutan-2-yl)pyrimidine-2,4-diamine
CID 104830588
2-N,4-N-di(butan-2-yl)pyrimidine-2,4-diamine
CID 112883470
2-methyl-N-(4-methylpentan-2-yl)pyrimidin-4-amine
CID 62785872
2-tert-butyl-4-N-(4-methylhexan-2-yl)pyrimidine-4,6-diamine
CID 80958767
4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80801582
6-ethoxy-N-(4-methylhexan-2-yl)pyrimidin-4-amine
CID 66328442
4-pentan-3-ylpyrimidin-2-amine
CID 90738361
4-N-decylpyrimidine-2,4-diamine
CID 56985914
4-N-octylpyrimidine-2,4-diamine
CID 18766008
6-N-butan-2-ylpyridine-2,3,6-triamine
CID 79822121

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine (CID 80846918) is 4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine is CCC(C)CC(C)Nc1ccnc(N)n1.
What is the InChIKey of 4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine?
The InChIKey is PMIBHKYHKCJEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-4-8(2)7-9(3)14-10-5-6-13-11(12)15-10/h5-6,8-9H,4,7H2,1-3H3,(H3,12,13,14,15).
What are the key properties of 4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine?
4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine has a molecular weight of 208.31 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80846918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).