4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine

C12H22N4 — CID 80811854

IUPAC4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine
SMILESCC(C)(C)CC(C)(C)Nc1cc(N)ncn1
InChIInChI=1S/C12H22N4/c1-11(2,3)7-12(4,5)16-10-6-9(13)14-8-15-10/h6,8H,7H2,1-5H3,(H3,13,14,15,16)
InChIKeySFSZCJSBWVIFND-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.69
Rot. Bonds3

About 4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine

4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine (PubChem CID 80811854) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine
PubChem CID80811854
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine
SMILESCC(C)(C)CC(C)(C)Nc1cc(N)ncn1
InChIInChI=1S/C12H22N4/c1-11(2,3)7-12(4,5)16-10-6-9(13)14-8-15-10/h6,8H,7H2,1-5H3,(H3,13,14,15,16)
InChIKeySFSZCJSBWVIFND-UHFFFAOYSA-N
XLogP2.69
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-hydrazinyl-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine
CID 80903091
2-propyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine
CID 80955169
1-[(6-aminopyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
CID 107159476
4-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine
CID 80770931
4-N-[(4-ethylphenyl)methyl]pyrimidine-4,6-diamine
CID 113231864
N-(1-fluoro-2-methylpropan-2-yl)-6-methylpyrimidin-4-amine
CID 126987889
4-N-(5,5,5-trifluoropentyl)pyrimidine-4,6-diamine
CID 115523207
4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine
CID 80839408
4-N-(2-tert-butylphenyl)pyrimidine-4,6-diamine
CID 80836348
N-[2-[(6-aminopyrimidin-4-yl)amino]ethyl]acetamide
CID 79006981
2-chloro-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine
CID 62344273
4-N-benzylpyrimidine-4,6-diamine
CID 3031503

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine (CID 80811854) is 4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine is CC(C)(C)CC(C)(C)Nc1cc(N)ncn1.
What is the InChIKey of 4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine?
The InChIKey is SFSZCJSBWVIFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-11(2,3)7-12(4,5)16-10-6-9(13)14-8-15-10/h6,8H,7H2,1-5H3,(H3,13,14,15,16).
What are the key properties of 4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine?
4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine has a molecular weight of 222.34 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80811854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).