2-N,2-N,4-N-trimethyl-4-N-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrimidine-2,4-diamine

C21H29N5 — CID 172902469

IUPAC2-N,2-N,4-N-trimethyl-4-N-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrimidine-2,4-diamine
SMILESCN(C)c1nccc(N(C)C2CCN(C/C=C/c3ccccc3)CC2)n1
InChIInChI=1S/C21H29N5/c1-24(2)21-22-14-11-20(23-21)25(3)19-12-16-26(17-13-19)15-7-10-18-8-5-4-6-9-18/h4-11,14,19H,12-13,15-17H2,1-3H3/b10-7+
InChIKeyPQHKIQBVCYBHJY-JXMROGBWSA-N
MW351.50 g/mol
LogP3.16
Rot. Bonds6

About 2-N,2-N,4-N-trimethyl-4-N-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrimidine-2,4-diamine

2-N,2-N,4-N-trimethyl-4-N-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrimidine-2,4-diamine (PubChem CID 172902469) has the molecular formula C21H29N5 and a molecular weight of 351.50 g/mol. Its IUPAC name is 2-N,2-N,4-N-trimethyl-4-N-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,4-N-trimethyl-4-N-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrimidine-2,4-diamine
PubChem CID172902469
Molecular FormulaC21H29N5
Molecular Weight351.50 g/mol
Exact Mass351.24
IUPAC Name2-N,2-N,4-N-trimethyl-4-N-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrimidine-2,4-diamine
SMILESCN(C)c1nccc(N(C)C2CCN(C/C=C/c3ccccc3)CC2)n1
InChIInChI=1S/C21H29N5/c1-24(2)21-22-14-11-20(23-21)25(3)19-12-16-26(17-13-19)15-7-10-18-8-5-4-6-9-18/h4-11,14,19H,12-13,15-17H2,1-3H3/b10-7+
InChIKeyPQHKIQBVCYBHJY-JXMROGBWSA-N
XLogP3.16
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-N,2-N,4-N-trimethyl-4-N-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrimidine-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

Related Compounds

4-N-cyclobutyl-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
CID 126857010
4-N,4-N-dimethyl-2-N-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]pyrimidine-2,4-diamine
CID 171998580
4-N-[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
CID 175649102
4-N-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
CID 172903250
N-benzyl-N-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-amine
CID 112890827
2-N,2-N,4-N-trimethyl-4-N-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine
CID 175651595
2-N,2-N,4-N-trimethyl-4-N-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]pyrimidine-2,4-diamine
CID 172904147
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
1-[(E)-3-phenylprop-2-enyl]-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine
CID 90494159
N-cyclohexyl-N-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-sulfonamide
CID 55565419
[1-(3-phenylprop-2-enyl)piperidin-4-yl]methanamine
CID 76923183
4-N-(1-ethylpiperidin-4-yl)-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80820786

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N-trimethyl-4-N-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N,4-N-trimethyl-4-N-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrimidine-2,4-diamine (CID 172902469) is 2-N,2-N,4-N-trimethyl-4-N-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,4-N-trimethyl-4-N-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N,4-N-trimethyl-4-N-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrimidine-2,4-diamine is CN(C)c1nccc(N(C)C2CCN(C/C=C/c3ccccc3)CC2)n1.
What is the InChIKey of 2-N,2-N,4-N-trimethyl-4-N-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrimidine-2,4-diamine?
The InChIKey is PQHKIQBVCYBHJY-JXMROGBWSA-N. The full InChI is InChI=1S/C21H29N5/c1-24(2)21-22-14-11-20(23-21)25(3)19-12-16-26(17-13-19)15-7-10-18-8-5-4-6-9-18/h4-11,14,19H,12-13,15-17H2,1-3H3/b10-7+.
What are the key properties of 2-N,2-N,4-N-trimethyl-4-N-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrimidine-2,4-diamine?
2-N,2-N,4-N-trimethyl-4-N-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrimidine-2,4-diamine has a molecular weight of 351.50 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N-trimethyl-4-N-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 172902469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).