4-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-6-propan-2-ylpyrimidine-2,4-diamine

C15H22N6 — CID 72882036

IUPAC4-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-6-propan-2-ylpyrimidine-2,4-diamine
SMILESCc1cc(C)nc(CCNc2cc(C(C)C)nc(N)n2)n1
InChIInChI=1S/C15H22N6/c1-9(2)12-8-14(21-15(16)20-12)17-6-5-13-18-10(3)7-11(4)19-13/h7-9H,5-6H2,1-4H3,(H3,16,17,20,21)
InChIKeyYLFBFHRLMRJYAF-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.24
Rot. Bonds5

About 4-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-6-propan-2-ylpyrimidine-2,4-diamine

4-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-6-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 72882036) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-6-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-6-propan-2-ylpyrimidine-2,4-diamine
PubChem CID72882036
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name4-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-6-propan-2-ylpyrimidine-2,4-diamine
SMILESCc1cc(C)nc(CCNc2cc(C(C)C)nc(N)n2)n1
InChIInChI=1S/C15H22N6/c1-9(2)12-8-14(21-15(16)20-12)17-6-5-13-18-10(3)7-11(4)19-13/h7-9H,5-6H2,1-4H3,(H3,16,17,20,21)
InChIKeyYLFBFHRLMRJYAF-UHFFFAOYSA-N
XLogP2.24
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-6-propan-2-ylpyrimidine-2,4-diamine with MolForge

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Related Compounds

6-(3-aminocyclobutyl)-4-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine
CID 91768815
2-methyl-6-propan-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine
CID 50962885
6-methyl-4-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine
CID 72936445
2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)ethanol
CID 116893893
2-N,4-N-bis(3-methylbutyl)-6-propan-2-ylpyrimidine-2,4-diamine
CID 71244270
6-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine
CID 112726070
6-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-2,4-diamine
CID 102908872
6-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 78989212
6-methyl-N,2-dipropylpyrimidin-4-amine
CID 6460821
4-N-decyl-6-methylpyrimidine-2,4-diamine
CID 80855252
6-propan-2-ylpyrimidine-2,4-diamine
CID 12655163
N-ethyl-2-methyl-6-propan-2-ylpyrimidin-4-amine
CID 62191118

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-6-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-6-propan-2-ylpyrimidine-2,4-diamine (CID 72882036) is 4-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-6-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-6-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-6-propan-2-ylpyrimidine-2,4-diamine is Cc1cc(C)nc(CCNc2cc(C(C)C)nc(N)n2)n1.
What is the InChIKey of 4-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-6-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is YLFBFHRLMRJYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-9(2)12-8-14(21-15(16)20-12)17-6-5-13-18-10(3)7-11(4)19-13/h7-9H,5-6H2,1-4H3,(H3,16,17,20,21).
What are the key properties of 4-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-6-propan-2-ylpyrimidine-2,4-diamine?
4-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-6-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 286.38 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-6-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 72882036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).