4-N-ethyl-2-N-methyl-4-N-propylpyrimidine-2,4-diamine

C10H18N4 — CID 80775087

IUPAC4-N-ethyl-2-N-methyl-4-N-propylpyrimidine-2,4-diamine
SMILESCCCN(CC)c1ccnc(NC)n1
InChIInChI=1S/C10H18N4/c1-4-8-14(5-2)9-6-7-12-10(11-3)13-9/h6-7H,4-5,8H2,1-3H3,(H,11,12,13)
InChIKeyAMTBQQYTPQISDI-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.75
Rot. Bonds5

About 4-N-ethyl-2-N-methyl-4-N-propylpyrimidine-2,4-diamine

4-N-ethyl-2-N-methyl-4-N-propylpyrimidine-2,4-diamine (PubChem CID 80775087) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-N-ethyl-2-N-methyl-4-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-N-methyl-4-N-propylpyrimidine-2,4-diamine
PubChem CID80775087
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name4-N-ethyl-2-N-methyl-4-N-propylpyrimidine-2,4-diamine
SMILESCCCN(CC)c1ccnc(NC)n1
InChIInChI=1S/C10H18N4/c1-4-8-14(5-2)9-6-7-12-10(11-3)13-9/h6-7H,4-5,8H2,1-3H3,(H,11,12,13)
InChIKeyAMTBQQYTPQISDI-UHFFFAOYSA-N
XLogP1.75
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-ethyl-2-hydrazinylpyrimidin-4-amine
CID 80918365
2-N-[4-(diethylamino)phenyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112901225
2-N,4-N,4-N-triethylpyrimidine-2,4-diamine
CID 80766535
2-N-(4-methylphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112901166
3-[ethyl-[2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 113469264
2-N-[3-(dimethylamino)propyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112887794
2-N-cycloheptyl-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112899961
2-N,4-N-dimethyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 80795078
2-[ethyl-(2-hydrazinylpyrimidin-4-yl)amino]-N-methylacetamide
CID 80896435
4-N-ethyl-4-N-(2-ethylbutyl)-2-N-propylpyrimidine-2,4-diamine
CID 80799138
2-N-(2,4-difluorophenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine
CID 112899159
2-N-(2,6-dichlorophenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine
CID 112899170

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N-methyl-4-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-2-N-methyl-4-N-propylpyrimidine-2,4-diamine (CID 80775087) is 4-N-ethyl-2-N-methyl-4-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-2-N-methyl-4-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-2-N-methyl-4-N-propylpyrimidine-2,4-diamine is CCCN(CC)c1ccnc(NC)n1.
What is the InChIKey of 4-N-ethyl-2-N-methyl-4-N-propylpyrimidine-2,4-diamine?
The InChIKey is AMTBQQYTPQISDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-4-8-14(5-2)9-6-7-12-10(11-3)13-9/h6-7H,4-5,8H2,1-3H3,(H,11,12,13).
What are the key properties of 4-N-ethyl-2-N-methyl-4-N-propylpyrimidine-2,4-diamine?
4-N-ethyl-2-N-methyl-4-N-propylpyrimidine-2,4-diamine has a molecular weight of 194.28 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N-methyl-4-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80775087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).