N',N'-dimethyl-N-[4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-yl]ethane-1,2-diamine

C20H29N5 — CID 112935945

IUPACN',N'-dimethyl-N-[4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-yl]ethane-1,2-diamine
SMILESCC1CCCN(c2cc(-c3ccccc3)nc(NCCN(C)C)n2)C1
InChIInChI=1S/C20H29N5/c1-16-8-7-12-25(15-16)19-14-18(17-9-5-4-6-10-17)22-20(23-19)21-11-13-24(2)3/h4-6,9-10,14,16H,7-8,11-13,15H2,1-3H3,(H,21,22,23)
InChIKeyUYRWFIRNCCNYEA-UHFFFAOYSA-N
MW339.49 g/mol
LogP3.35
Rot. Bonds6

About N',N'-dimethyl-N-[4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-yl]ethane-1,2-diamine

N',N'-dimethyl-N-[4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-yl]ethane-1,2-diamine (PubChem CID 112935945) has the molecular formula C20H29N5 and a molecular weight of 339.49 g/mol. Its IUPAC name is N',N'-dimethyl-N-[4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-yl]ethane-1,2-diamine
PubChem CID112935945
Molecular FormulaC20H29N5
Molecular Weight339.49 g/mol
Exact Mass339.24
IUPAC NameN',N'-dimethyl-N-[4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-yl]ethane-1,2-diamine
SMILESCC1CCCN(c2cc(-c3ccccc3)nc(NCCN(C)C)n2)C1
InChIInChI=1S/C20H29N5/c1-16-8-7-12-25(15-16)19-14-18(17-9-5-4-6-10-17)22-20(23-19)21-11-13-24(2)3/h4-6,9-10,14,16H,7-8,11-13,15H2,1-3H3,(H,21,22,23)
InChIKeyUYRWFIRNCCNYEA-UHFFFAOYSA-N
XLogP3.35
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N',N'-dimethyl-N-[4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-yl]ethane-1,2-diamine with MolForge

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

Launch Full Analysis

Related Compounds

4-(3-methylpiperidin-1-yl)-6-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 112937177
4-(3-methylpiperidin-1-yl)-N,6-diphenylpyrimidin-2-amine
CID 112938025
N',N'-dimethyl-N-[2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-yl]propane-1,3-diamine
CID 112936106
N-(3-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-amine
CID 112938030
1-[4-[[4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-yl]amino]phenyl]ethanone
CID 112938033
N-butyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112933620
4-(azepan-1-yl)-N-butyl-6-phenylpyrimidin-2-amine
CID 112933669
N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenylpyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112936186
N',N'-dimethyl-N-(6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 112934570
4-(4-methylpiperidin-1-yl)-6-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 112934723
N',N'-dimethyl-N-[2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]propane-1,3-diamine
CID 112870576
4-(3-methylpiperidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563756

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-yl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-yl]ethane-1,2-diamine (CID 112935945) is N',N'-dimethyl-N-[4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-yl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-yl]ethane-1,2-diamine is CC1CCCN(c2cc(-c3ccccc3)nc(NCCN(C)C)n2)C1.
What is the InChIKey of N',N'-dimethyl-N-[4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-yl]ethane-1,2-diamine?
The InChIKey is UYRWFIRNCCNYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5/c1-16-8-7-12-25(15-16)19-14-18(17-9-5-4-6-10-17)22-20(23-19)21-11-13-24(2)3/h4-6,9-10,14,16H,7-8,11-13,15H2,1-3H3,(H,21,22,23).
What are the key properties of N',N'-dimethyl-N-[4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-yl]ethane-1,2-diamine?
N',N'-dimethyl-N-[4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-yl]ethane-1,2-diamine has a molecular weight of 339.49 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 112935945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).