4-N-(2,2-dimethylpropyl)-2-ethyl-4-N-methylpyrimidine-4,6-diamine

C12H22N4 — CID 80934465

IUPAC4-N-(2,2-dimethylpropyl)-2-ethyl-4-N-methylpyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(N(C)CC(C)(C)C)n1
InChIInChI=1S/C12H22N4/c1-6-10-14-9(13)7-11(15-10)16(5)8-12(2,3)4/h7H,6,8H2,1-5H3,(H2,13,14,15)
InChIKeyDXGZSMXRDBJECD-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.10
Rot. Bonds3

About 4-N-(2,2-dimethylpropyl)-2-ethyl-4-N-methylpyrimidine-4,6-diamine

4-N-(2,2-dimethylpropyl)-2-ethyl-4-N-methylpyrimidine-4,6-diamine (PubChem CID 80934465) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 4-N-(2,2-dimethylpropyl)-2-ethyl-4-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,2-dimethylpropyl)-2-ethyl-4-N-methylpyrimidine-4,6-diamine
PubChem CID80934465
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name4-N-(2,2-dimethylpropyl)-2-ethyl-4-N-methylpyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(N(C)CC(C)(C)C)n1
InChIInChI=1S/C12H22N4/c1-6-10-14-9(13)7-11(15-10)16(5)8-12(2,3)4/h7H,6,8H2,1-5H3,(H2,13,14,15)
InChIKeyDXGZSMXRDBJECD-UHFFFAOYSA-N
XLogP2.10
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-4,6-diamine
CID 80934212
4-N-cyclopropyl-2-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80933693
2-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80933289
1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
CID 80958659
4-N-(2,2-dimethylpropyl)-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
CID 80903569
2-[(6-amino-2-ethylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile
CID 80933068
6-bromo-2-ethylpyrimidin-4-amine
CID 45094626
2-tert-butyl-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80967560
4-N-[2-(dimethylamino)ethyl]-2-ethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 80934593
4-N-methyl-4-N-(2-methylpropyl)-2-propylpyrimidine-4,6-diamine
CID 80954780
2-ethyl-4-N-(3-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine
CID 80934677
4-N,2-diethyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 80934889

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-dimethylpropyl)-2-ethyl-4-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,2-dimethylpropyl)-2-ethyl-4-N-methylpyrimidine-4,6-diamine (CID 80934465) is 4-N-(2,2-dimethylpropyl)-2-ethyl-4-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,2-dimethylpropyl)-2-ethyl-4-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,2-dimethylpropyl)-2-ethyl-4-N-methylpyrimidine-4,6-diamine is CCc1nc(N)cc(N(C)CC(C)(C)C)n1.
What is the InChIKey of 4-N-(2,2-dimethylpropyl)-2-ethyl-4-N-methylpyrimidine-4,6-diamine?
The InChIKey is DXGZSMXRDBJECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-6-10-14-9(13)7-11(15-10)16(5)8-12(2,3)4/h7H,6,8H2,1-5H3,(H2,13,14,15).
What are the key properties of 4-N-(2,2-dimethylpropyl)-2-ethyl-4-N-methylpyrimidine-4,6-diamine?
4-N-(2,2-dimethylpropyl)-2-ethyl-4-N-methylpyrimidine-4,6-diamine has a molecular weight of 222.34 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-dimethylpropyl)-2-ethyl-4-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80934465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).