6-N,5-dimethyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine

C12H22N4 — CID 80783731

IUPAC6-N,5-dimethyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine
SMILESCNc1ncnc(NC(C)CC(C)C)c1C
InChIInChI=1S/C12H22N4/c1-8(2)6-9(3)16-12-10(4)11(13-5)14-7-15-12/h7-9H,6H2,1-5H3,(H2,13,14,15,16)
InChIKeyFBCSRJMJUKVANT-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.67
Rot. Bonds5

About 6-N,5-dimethyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine

6-N,5-dimethyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine (PubChem CID 80783731) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 6-N,5-dimethyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,5-dimethyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine
PubChem CID80783731
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name6-N,5-dimethyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine
SMILESCNc1ncnc(NC(C)CC(C)C)c1C
InChIInChI=1S/C12H22N4/c1-8(2)6-9(3)16-12-10(4)11(13-5)14-7-15-12/h7-9H,6H2,1-5H3,(H2,13,14,15,16)
InChIKeyFBCSRJMJUKVANT-UHFFFAOYSA-N
XLogP2.67
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-ethyl-5-methyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine
CID 80783228
5-methyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine
CID 80782943
3-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83179964
4-N-[1-(diethylamino)propan-2-yl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80817047
6-N,5-dimethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-4,6-diamine
CID 80843830
6-N,2,5-trimethyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine
CID 80783396
6-N,5-dimethyl-4-N-octan-2-ylpyrimidine-4,6-diamine
CID 80800865
6-N,5-dimethyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine
CID 80831901
4-N-(1-methoxy-3-methylbutan-2-yl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80841632
4-N-(4-methylpentan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80782939
2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]propanamide
CID 80788224
4-N-hexan-3-yl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80821693

Frequently Asked Questions

What is the IUPAC name of 6-N,5-dimethyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N,5-dimethyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine (CID 80783731) is 6-N,5-dimethyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,5-dimethyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,5-dimethyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine is CNc1ncnc(NC(C)CC(C)C)c1C.
What is the InChIKey of 6-N,5-dimethyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine?
The InChIKey is FBCSRJMJUKVANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-8(2)6-9(3)16-12-10(4)11(13-5)14-7-15-12/h7-9H,6H2,1-5H3,(H2,13,14,15,16).
What are the key properties of 6-N,5-dimethyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine?
6-N,5-dimethyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine has a molecular weight of 222.34 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,5-dimethyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80783731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).