4-N-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine

C20H29N5 — CID 172901908

IUPAC4-N-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCc1ccc(CN2CCCC(Nc3ccnc(N(C)C)n3)C2)c(C)c1
InChIInChI=1S/C20H29N5/c1-15-7-8-17(16(2)12-15)13-25-11-5-6-18(14-25)22-19-9-10-21-20(23-19)24(3)4/h7-10,12,18H,5-6,11,13-14H2,1-4H3,(H,21,22,23)
InChIKeyYMZFMUVDJBXSNG-UHFFFAOYSA-N
MW339.49 g/mol
LogP3.24
Rot. Bonds5

About 4-N-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine

4-N-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine (PubChem CID 172901908) has the molecular formula C20H29N5 and a molecular weight of 339.49 g/mol. Its IUPAC name is 4-N-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
PubChem CID172901908
Molecular FormulaC20H29N5
Molecular Weight339.49 g/mol
Exact Mass339.24
IUPAC Name4-N-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCc1ccc(CN2CCCC(Nc3ccnc(N(C)C)n3)C2)c(C)c1
InChIInChI=1S/C20H29N5/c1-15-7-8-17(16(2)12-15)13-25-11-5-6-18(14-25)22-19-9-10-21-20(23-19)24(3)4/h7-10,12,18H,5-6,11,13-14H2,1-4H3,(H,21,22,23)
InChIKeyYMZFMUVDJBXSNG-UHFFFAOYSA-N
XLogP3.24
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-N-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine with MolForge

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Related Compounds

2-N,2-N-dimethyl-4-N-[1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-yl]pyrimidine-2,4-diamine
CID 175649508
6-N-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 171999428
2-N,2-N-dimethyl-4-N-[1-[2-(triazol-2-yl)ethyl]piperidin-3-yl]pyrimidine-2,4-diamine
CID 175649042
4-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 139013055
4-N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 172901558
N-(1-ethylpiperidin-3-yl)-2-methylpyrimidin-4-amine
CID 62786064
4-N-[1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 172901710
2-N,2-N-dimethyl-4-N-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine-2,4-diamine
CID 172900660
N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methylpyrimidin-4-amine
CID 172881008
N-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172893196
2-N,2-N-dimethyl-4-N-[1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]pyrimidine-2,4-diamine
CID 172899532
6-methyl-N-[1-[(4-methylphenyl)methyl]piperidin-3-yl]pyrimidin-4-amine
CID 171998278

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine (CID 172901908) is 4-N-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine is Cc1ccc(CN2CCCC(Nc3ccnc(N(C)C)n3)C2)c(C)c1.
What is the InChIKey of 4-N-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is YMZFMUVDJBXSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5/c1-15-7-8-17(16(2)12-15)13-25-11-5-6-18(14-25)22-19-9-10-21-20(23-19)24(3)4/h7-10,12,18H,5-6,11,13-14H2,1-4H3,(H,21,22,23).
What are the key properties of 4-N-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine?
4-N-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 339.49 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 172901908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).