6-N-ethyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-propylpyrimidine-4,6-diamine

C15H24N6 — CID 80944629

IUPAC6-N-ethyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)cc(N(C)Cc2nccn2C)n1
InChIInChI=1S/C15H24N6/c1-5-7-12-18-13(16-6-2)10-14(19-12)21(4)11-15-17-8-9-20(15)3/h8-10H,5-7,11H2,1-4H3,(H,16,18,19)
InChIKeyJFTVTBFXMRPSIW-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.23
Rot. Bonds7

About 6-N-ethyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-propylpyrimidine-4,6-diamine

6-N-ethyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-propylpyrimidine-4,6-diamine (PubChem CID 80944629) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is 6-N-ethyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-propylpyrimidine-4,6-diamine
PubChem CID80944629
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name6-N-ethyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)cc(N(C)Cc2nccn2C)n1
InChIInChI=1S/C15H24N6/c1-5-7-12-18-13(16-6-2)10-14(19-12)21(4)11-15-17-8-9-20(15)3/h8-10H,5-7,11H2,1-4H3,(H,16,18,19)
InChIKeyJFTVTBFXMRPSIW-UHFFFAOYSA-N
XLogP2.23
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-ethyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-2,4,6-triamine
CID 80831583
6-N-ethyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80950520
6-N-ethyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-4,6-diamine
CID 80831186
6-N-ethyl-4-N,4-N-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80946313
4-N-butyl-6-N-ethyl-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80945395
N-ethyl-6-(1-methylimidazol-2-yl)-2-propylpyrimidin-4-amine
CID 80945480
N-ethyl-6-(1-methylimidazol-2-yl)sulfanyl-2-propylpyrimidin-4-amine
CID 80946926
6-chloro-2-ethyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 80936276
6-N-ethyl-4-N-methyl-4-N-(2-methylsulfonylethyl)-2-propylpyrimidine-4,6-diamine
CID 80950474
4-N,6-N-dimethyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771884
1-[[6-(ethylamino)-2-propylpyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol
CID 80954748
2-tert-butyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-4,6-diamine
CID 80958210

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-propylpyrimidine-4,6-diamine (CID 80944629) is 6-N-ethyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-propylpyrimidine-4,6-diamine is CCCc1nc(NCC)cc(N(C)Cc2nccn2C)n1.
What is the InChIKey of 6-N-ethyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-propylpyrimidine-4,6-diamine?
The InChIKey is JFTVTBFXMRPSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-5-7-12-18-13(16-6-2)10-14(19-12)21(4)11-15-17-8-9-20(15)3/h8-10H,5-7,11H2,1-4H3,(H,16,18,19).
What are the key properties of 6-N-ethyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-propylpyrimidine-4,6-diamine?
6-N-ethyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-propylpyrimidine-4,6-diamine has a molecular weight of 288.40 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80944629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).