6-methyl-4-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine

C15H20N6 — CID 72936445

IUPAC6-methyl-4-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine
SMILESCc1cc(NCCc2nc(C)c3c(n2)CCC3)nc(N)n1
InChIInChI=1S/C15H20N6/c1-9-8-14(21-15(16)18-9)17-7-6-13-19-10(2)11-4-3-5-12(11)20-13/h8H,3-7H2,1-2H3,(H3,16,17,18,21)
InChIKeyUTLJIWSAXVEPGE-UHFFFAOYSA-N
MW284.37 g/mol
LogP1.61
Rot. Bonds4

About 6-methyl-4-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine

6-methyl-4-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 72936445) has the molecular formula C15H20N6 and a molecular weight of 284.37 g/mol. Its IUPAC name is 6-methyl-4-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID72936445
Molecular FormulaC15H20N6
Molecular Weight284.37 g/mol
Exact Mass284.17
IUPAC Name6-methyl-4-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine
SMILESCc1cc(NCCc2nc(C)c3c(n2)CCC3)nc(N)n1
InChIInChI=1S/C15H20N6/c1-9-8-14(21-15(16)18-9)17-7-6-13-19-10(2)11-4-3-5-12(11)20-13/h8H,3-7H2,1-2H3,(H3,16,17,18,21)
InChIKeyUTLJIWSAXVEPGE-UHFFFAOYSA-N
XLogP1.61
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine (CID 72936445) is 6-methyl-4-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine is Cc1cc(NCCc2nc(C)c3c(n2)CCC3)nc(N)n1.
What is the InChIKey of 6-methyl-4-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is UTLJIWSAXVEPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6/c1-9-8-14(21-15(16)18-9)17-7-6-13-19-10(2)11-4-3-5-12(11)20-13/h8H,3-7H2,1-2H3,(H3,16,17,18,21).
What are the key properties of 6-methyl-4-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine?
6-methyl-4-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 284.37 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 72936445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).