2-N,5-dimethyl-2-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidine-2,4-diamine

C13H20N6 — CID 46997101

IUPAC2-N,5-dimethyl-2-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidine-2,4-diamine
SMILESCc1cnc(N(C)CCCc2nccn2C)nc1N
InChIInChI=1S/C13H20N6/c1-10-9-16-13(17-12(10)14)19(3)7-4-5-11-15-6-8-18(11)2/h6,8-9H,4-5,7H2,1-3H3,(H2,14,16,17)
InChIKeyKEMWPXMUFLEAQA-UHFFFAOYSA-N
MW260.35 g/mol
LogP1.17
Rot. Bonds5

About 2-N,5-dimethyl-2-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidine-2,4-diamine

2-N,5-dimethyl-2-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidine-2,4-diamine (PubChem CID 46997101) has the molecular formula C13H20N6 and a molecular weight of 260.35 g/mol. Its IUPAC name is 2-N,5-dimethyl-2-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,5-dimethyl-2-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidine-2,4-diamine
PubChem CID46997101
Molecular FormulaC13H20N6
Molecular Weight260.35 g/mol
Exact Mass260.17
IUPAC Name2-N,5-dimethyl-2-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidine-2,4-diamine
SMILESCc1cnc(N(C)CCCc2nccn2C)nc1N
InChIInChI=1S/C13H20N6/c1-10-9-16-13(17-12(10)14)19(3)7-4-5-11-15-6-8-18(11)2/h6,8-9H,4-5,7H2,1-3H3,(H2,14,16,17)
InChIKeyKEMWPXMUFLEAQA-UHFFFAOYSA-N
XLogP1.17
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidin-2-amine
CID 72851312
N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-4-pyridin-2-ylpyrimidin-2-amine
CID 74235815
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
2-[2-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 70736552
N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidin-4-amine
CID 72881255
N,2-dimethyl-N-[3-(1-methylimidazol-2-yl)propyl]-6-propan-2-ylpyrimidin-4-amine
CID 50950043
4-(1-methylimidazol-2-yl)butan-1-amine
CID 79762041
2-(2-aminoethyl)-N,5,6-trimethyl-N-[3-(1-methylimidazol-2-yl)propyl]thieno[2,3-d]pyrimidin-4-amine;dihydrochloride
CID 154890049
N,N-bis[3-(1-methylimidazol-2-yl)propyl]heptan-1-amine
CID 140833514
N'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine
CID 114525994
1-N-methyl-1-N-[2-(1-methylimidazol-2-yl)ethyl]propane-1,2-diamine
CID 114531856
1-methyl-2-nonylimidazole
CID 67393993

Frequently Asked Questions

What is the IUPAC name of 2-N,5-dimethyl-2-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,5-dimethyl-2-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidine-2,4-diamine (CID 46997101) is 2-N,5-dimethyl-2-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,5-dimethyl-2-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,5-dimethyl-2-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidine-2,4-diamine is Cc1cnc(N(C)CCCc2nccn2C)nc1N.
What is the InChIKey of 2-N,5-dimethyl-2-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidine-2,4-diamine?
The InChIKey is KEMWPXMUFLEAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-10-9-16-13(17-12(10)14)19(3)7-4-5-11-15-6-8-18(11)2/h6,8-9H,4-5,7H2,1-3H3,(H2,14,16,17).
What are the key properties of 2-N,5-dimethyl-2-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidine-2,4-diamine?
2-N,5-dimethyl-2-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidine-2,4-diamine has a molecular weight of 260.35 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-dimethyl-2-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 46997101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).