4-N-methyl-4-N-[3-(1-methylimidazol-2-yl)propyl]-6-pyrrolidin-1-ylpyrimidine-2,4-diamine

C16H25N7 — CID 50952129

IUPAC4-N-methyl-4-N-[3-(1-methylimidazol-2-yl)propyl]-6-pyrrolidin-1-ylpyrimidine-2,4-diamine
SMILESCN(CCCc1nccn1C)c1cc(N2CCCC2)nc(N)n1
InChIInChI=1S/C16H25N7/c1-21(8-5-6-13-18-7-11-22(13)2)14-12-15(20-16(17)19-14)23-9-3-4-10-23/h7,11-12H,3-6,8-10H2,1-2H3,(H2,17,19,20)
InChIKeyNMFCMGQHTOVXNG-UHFFFAOYSA-N
MW315.43 g/mol
LogP1.46
Rot. Bonds6

About 4-N-methyl-4-N-[3-(1-methylimidazol-2-yl)propyl]-6-pyrrolidin-1-ylpyrimidine-2,4-diamine

4-N-methyl-4-N-[3-(1-methylimidazol-2-yl)propyl]-6-pyrrolidin-1-ylpyrimidine-2,4-diamine (PubChem CID 50952129) has the molecular formula C16H25N7 and a molecular weight of 315.43 g/mol. Its IUPAC name is 4-N-methyl-4-N-[3-(1-methylimidazol-2-yl)propyl]-6-pyrrolidin-1-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[3-(1-methylimidazol-2-yl)propyl]-6-pyrrolidin-1-ylpyrimidine-2,4-diamine
PubChem CID50952129
Molecular FormulaC16H25N7
Molecular Weight315.43 g/mol
Exact Mass315.22
IUPAC Name4-N-methyl-4-N-[3-(1-methylimidazol-2-yl)propyl]-6-pyrrolidin-1-ylpyrimidine-2,4-diamine
SMILESCN(CCCc1nccn1C)c1cc(N2CCCC2)nc(N)n1
InChIInChI=1S/C16H25N7/c1-21(8-5-6-13-18-7-11-22(13)2)14-12-15(20-16(17)19-14)23-9-3-4-10-23/h7,11-12H,3-6,8-10H2,1-2H3,(H2,17,19,20)
InChIKeyNMFCMGQHTOVXNG-UHFFFAOYSA-N
XLogP1.46
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.43
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[3-(1-methylimidazol-2-yl)propyl]-6-pyrrolidin-1-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-4-N-[3-(1-methylimidazol-2-yl)propyl]-6-pyrrolidin-1-ylpyrimidine-2,4-diamine (CID 50952129) is 4-N-methyl-4-N-[3-(1-methylimidazol-2-yl)propyl]-6-pyrrolidin-1-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[3-(1-methylimidazol-2-yl)propyl]-6-pyrrolidin-1-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-[3-(1-methylimidazol-2-yl)propyl]-6-pyrrolidin-1-ylpyrimidine-2,4-diamine is CN(CCCc1nccn1C)c1cc(N2CCCC2)nc(N)n1.
What is the InChIKey of 4-N-methyl-4-N-[3-(1-methylimidazol-2-yl)propyl]-6-pyrrolidin-1-ylpyrimidine-2,4-diamine?
The InChIKey is NMFCMGQHTOVXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7/c1-21(8-5-6-13-18-7-11-22(13)2)14-12-15(20-16(17)19-14)23-9-3-4-10-23/h7,11-12H,3-6,8-10H2,1-2H3,(H2,17,19,20).
What are the key properties of 4-N-methyl-4-N-[3-(1-methylimidazol-2-yl)propyl]-6-pyrrolidin-1-ylpyrimidine-2,4-diamine?
4-N-methyl-4-N-[3-(1-methylimidazol-2-yl)propyl]-6-pyrrolidin-1-ylpyrimidine-2,4-diamine has a molecular weight of 315.43 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-[3-(1-methylimidazol-2-yl)propyl]-6-pyrrolidin-1-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 50952129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).