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

C14H25N5 — CID 80933549

IUPAC6-N,2-diethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine
SMILESCCNc1cc(NCC2CCN(C)C2)nc(CC)n1
InChIInChI=1S/C14H25N5/c1-4-12-17-13(15-5-2)8-14(18-12)16-9-11-6-7-19(3)10-11/h8,11H,4-7,9-10H2,1-3H3,(H2,15,16,17,18)
InChIKeyJLVXKEOAIWVDFN-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.83
Rot. Bonds6

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

6-N,2-diethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 80933549) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 6-N,2-diethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,2-diethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine
PubChem CID80933549
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name6-N,2-diethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine
SMILESCCNc1cc(NCC2CCN(C)C2)nc(CC)n1
InChIInChI=1S/C14H25N5/c1-4-12-17-13(15-5-2)8-14(18-12)16-9-11-6-7-19(3)10-11/h8,11H,4-7,9-10H2,1-3H3,(H2,15,16,17,18)
InChIKeyJLVXKEOAIWVDFN-UHFFFAOYSA-N
XLogP1.83
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-N,2-diethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-N,2-diethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N,2-diethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine (CID 80933549) is 6-N,2-diethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,2-diethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,2-diethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine is CCNc1cc(NCC2CCN(C)C2)nc(CC)n1.
What is the InChIKey of 6-N,2-diethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is JLVXKEOAIWVDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-4-12-17-13(15-5-2)8-14(18-12)16-9-11-6-7-19(3)10-11/h8,11H,4-7,9-10H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 6-N,2-diethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine?
6-N,2-diethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 263.39 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,2-diethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80933549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).