4-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine

C15H22N8O2 — CID 172901240

IUPAC4-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCOc1nc(OC)nc(N2CCC(Nc3ccnc(N(C)C)n3)C2)n1
InChIInChI=1S/C15H22N8O2/c1-22(2)12-16-7-5-11(18-12)17-10-6-8-23(9-10)13-19-14(24-3)21-15(20-13)25-4/h5,7,10H,6,8-9H2,1-4H3,(H,16,17,18)
InChIKeyMPDZREJZXSXSQQ-UHFFFAOYSA-N
MW346.40 g/mol
LogP0.44
Rot. Bonds6

About 4-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine

4-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine (PubChem CID 172901240) has the molecular formula C15H22N8O2 and a molecular weight of 346.40 g/mol. Its IUPAC name is 4-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
PubChem CID172901240
Molecular FormulaC15H22N8O2
Molecular Weight346.40 g/mol
Exact Mass346.19
IUPAC Name4-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCOc1nc(OC)nc(N2CCC(Nc3ccnc(N(C)C)n3)C2)n1
InChIInChI=1S/C15H22N8O2/c1-22(2)12-16-7-5-11(18-12)17-10-6-8-23(9-10)13-19-14(24-3)21-15(20-13)25-4/h5,7,10H,6,8-9H2,1-4H3,(H,16,17,18)
InChIKeyMPDZREJZXSXSQQ-UHFFFAOYSA-N
XLogP0.44
TPSA101.42 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-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 4-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine (CID 172901240) is 4-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine is COc1nc(OC)nc(N2CCC(Nc3ccnc(N(C)C)n3)C2)n1.
What is the InChIKey of 4-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is MPDZREJZXSXSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N8O2/c1-22(2)12-16-7-5-11(18-12)17-10-6-8-23(9-10)13-19-14(24-3)21-15(20-13)25-4/h5,7,10H,6,8-9H2,1-4H3,(H,16,17,18).
What are the key properties of 4-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine?
4-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 346.40 g/mol, XLogP of 0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 172901240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).