4-N-(4-methylpentan-2-yl)-6-N-propylpyrimidine-4,6-diamine

C13H24N4 — CID 80783948

IUPAC4-N-(4-methylpentan-2-yl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC(C)CC(C)C)ncn1
InChIInChI=1S/C13H24N4/c1-5-6-14-12-8-13(16-9-15-12)17-11(4)7-10(2)3/h8-11H,5-7H2,1-4H3,(H2,14,15,16,17)
InChIKeyXWEADAQUJYGDQO-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.14
Rot. Bonds7

About 4-N-(4-methylpentan-2-yl)-6-N-propylpyrimidine-4,6-diamine

4-N-(4-methylpentan-2-yl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80783948) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-N-(4-methylpentan-2-yl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-methylpentan-2-yl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID80783948
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name4-N-(4-methylpentan-2-yl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC(C)CC(C)C)ncn1
InChIInChI=1S/C13H24N4/c1-5-6-14-12-8-13(16-9-15-12)17-11(4)7-10(2)3/h8-11H,5-7H2,1-4H3,(H2,14,15,16,17)
InChIKeyXWEADAQUJYGDQO-UHFFFAOYSA-N
XLogP3.14
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[1-(diethylamino)propan-2-yl]-6-N-propylpyrimidine-4,6-diamine
CID 80816058
2-cyclopropyl-4-N-(4-methylpentan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80968154
4-N-hexan-3-yl-6-N-propylpyrimidine-4,6-diamine
CID 80817415
6-N-(4-methylpentan-2-yl)-2-N-propylpyridine-2,6-diamine
CID 80783247
6-(2-methylpropoxy)-N-propylpyrimidin-4-amine
CID 80860454
6-N-propyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80781949
3-methoxy-2-[[6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 114157111
4-N-(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80765107
4-N-(1-cyclohexylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80827059
3-methyl-4-[[6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 80851233
4-N-[1-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 80781938
4-N-prop-2-enyl-6-N-propylpyrimidine-4,6-diamine
CID 112854486

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methylpentan-2-yl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-methylpentan-2-yl)-6-N-propylpyrimidine-4,6-diamine (CID 80783948) is 4-N-(4-methylpentan-2-yl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-methylpentan-2-yl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-methylpentan-2-yl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NC(C)CC(C)C)ncn1.
What is the InChIKey of 4-N-(4-methylpentan-2-yl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is XWEADAQUJYGDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-5-6-14-12-8-13(16-9-15-12)17-11(4)7-10(2)3/h8-11H,5-7H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 4-N-(4-methylpentan-2-yl)-6-N-propylpyrimidine-4,6-diamine?
4-N-(4-methylpentan-2-yl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 236.36 g/mol, XLogP of 3.14, 7 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)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80783948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).