4-N,2-diethyl-6-N-methyl-4-N-(2-methylbutyl)pyrimidine-4,6-diamine

C14H26N4 — CID 80941500

IUPAC4-N,2-diethyl-6-N-methyl-4-N-(2-methylbutyl)pyrimidine-4,6-diamine
SMILESCCc1nc(NC)cc(N(CC)CC(C)CC)n1
InChIInChI=1S/C14H26N4/c1-6-11(4)10-18(8-3)14-9-13(15-5)16-12(7-2)17-14/h9,11H,6-8,10H2,1-5H3,(H,15,16,17)
InChIKeyRJUIGERRMPLKOR-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.95
Rot. Bonds7

About 4-N,2-diethyl-6-N-methyl-4-N-(2-methylbutyl)pyrimidine-4,6-diamine

4-N,2-diethyl-6-N-methyl-4-N-(2-methylbutyl)pyrimidine-4,6-diamine (PubChem CID 80941500) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-N,2-diethyl-6-N-methyl-4-N-(2-methylbutyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,2-diethyl-6-N-methyl-4-N-(2-methylbutyl)pyrimidine-4,6-diamine
PubChem CID80941500
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name4-N,2-diethyl-6-N-methyl-4-N-(2-methylbutyl)pyrimidine-4,6-diamine
SMILESCCc1nc(NC)cc(N(CC)CC(C)CC)n1
InChIInChI=1S/C14H26N4/c1-6-11(4)10-18(8-3)14-9-13(15-5)16-12(7-2)17-14/h9,11H,6-8,10H2,1-5H3,(H,15,16,17)
InChIKeyRJUIGERRMPLKOR-UHFFFAOYSA-N
XLogP2.95
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-butan-2-yl-2-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80934109
2-ethyl-4-N-(2-methoxyethyl)-6-N-methyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 80935014
6-N-methyl-4-N,4-N-bis(2-methylpropyl)-2-propylpyrimidine-4,6-diamine
CID 80954728
2-N-ethyl-6-N-methyl-2-N-(2-methylbutyl)pyrazine-2,6-diamine
CID 80850264
3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile
CID 80934878
4-N,6-N-diethyl-4-N-(2-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80959806
4-N-butan-2-yl-2-ethyl-4-N-(2-methoxyethyl)-6-N-methylpyrimidine-4,6-diamine
CID 80935470
6-N-methyl-4-N,4-N,2-tripropylpyrimidine-4,6-diamine
CID 80946205
2-ethyl-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 62192702
4-N,2-diethyl-4-N-(4-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80935117
4-N-cyclohexyl-4-N,2-diethyl-6-N-methylpyrimidine-4,6-diamine
CID 80934243
2-ethyl-4-N,6-N-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80934216

Frequently Asked Questions

What is the IUPAC name of 4-N,2-diethyl-6-N-methyl-4-N-(2-methylbutyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N,2-diethyl-6-N-methyl-4-N-(2-methylbutyl)pyrimidine-4,6-diamine (CID 80941500) is 4-N,2-diethyl-6-N-methyl-4-N-(2-methylbutyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,2-diethyl-6-N-methyl-4-N-(2-methylbutyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,2-diethyl-6-N-methyl-4-N-(2-methylbutyl)pyrimidine-4,6-diamine is CCc1nc(NC)cc(N(CC)CC(C)CC)n1.
What is the InChIKey of 4-N,2-diethyl-6-N-methyl-4-N-(2-methylbutyl)pyrimidine-4,6-diamine?
The InChIKey is RJUIGERRMPLKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-6-11(4)10-18(8-3)14-9-13(15-5)16-12(7-2)17-14/h9,11H,6-8,10H2,1-5H3,(H,15,16,17).
What are the key properties of 4-N,2-diethyl-6-N-methyl-4-N-(2-methylbutyl)pyrimidine-4,6-diamine?
4-N,2-diethyl-6-N-methyl-4-N-(2-methylbutyl)pyrimidine-4,6-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,2-diethyl-6-N-methyl-4-N-(2-methylbutyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80941500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).