2-ethyl-6-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine

C13H23N5 — CID 80933633

IUPAC2-ethyl-6-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine
SMILESCCc1nc(NC)cc(NCC2CCN(C)C2)n1
InChIInChI=1S/C13H23N5/c1-4-11-16-12(14-2)7-13(17-11)15-8-10-5-6-18(3)9-10/h7,10H,4-6,8-9H2,1-3H3,(H2,14,15,16,17)
InChIKeyBGKMLEMTLWMZHC-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.44
Rot. Bonds5

About 2-ethyl-6-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine

2-ethyl-6-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 80933633) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-ethyl-6-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-6-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine
PubChem CID80933633
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name2-ethyl-6-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine
SMILESCCc1nc(NC)cc(NCC2CCN(C)C2)n1
InChIInChI=1S/C13H23N5/c1-4-11-16-12(14-2)7-13(17-11)15-8-10-5-6-18(3)9-10/h7,10H,4-6,8-9H2,1-3H3,(H2,14,15,16,17)
InChIKeyBGKMLEMTLWMZHC-UHFFFAOYSA-N
XLogP1.44
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-6-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine (CID 80933633) is 2-ethyl-6-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-6-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-6-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine is CCc1nc(NC)cc(NCC2CCN(C)C2)n1.
What is the InChIKey of 2-ethyl-6-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is BGKMLEMTLWMZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-4-11-16-12(14-2)7-13(17-11)15-8-10-5-6-18(3)9-10/h7,10H,4-6,8-9H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 2-ethyl-6-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine?
2-ethyl-6-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 249.36 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80933633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).