N,N-dimethyl-N'-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)-2-phenylpropane-1,3-diamine

C21H25N5 — CID 167775142

IUPACN,N-dimethyl-N'-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)-2-phenylpropane-1,3-diamine
SMILESCc1nc(NCC(CN(C)C)c2ccccc2)cc(-c2ccccn2)n1
InChIInChI=1S/C21H25N5/c1-16-24-20(19-11-7-8-12-22-19)13-21(25-16)23-14-18(15-26(2)3)17-9-5-4-6-10-17/h4-13,18H,14-15H2,1-3H3,(H,23,24,25)
InChIKeyUZAMRGVENHHYCZ-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.60
Rot. Bonds7

About N,N-dimethyl-N'-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)-2-phenylpropane-1,3-diamine

N,N-dimethyl-N'-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)-2-phenylpropane-1,3-diamine (PubChem CID 167775142) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is N,N-dimethyl-N'-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)-2-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)-2-phenylpropane-1,3-diamine
PubChem CID167775142
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC NameN,N-dimethyl-N'-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)-2-phenylpropane-1,3-diamine
SMILESCc1nc(NCC(CN(C)C)c2ccccc2)cc(-c2ccccn2)n1
InChIInChI=1S/C21H25N5/c1-16-24-20(19-11-7-8-12-22-19)13-21(25-16)23-14-18(15-26(2)3)17-9-5-4-6-10-17/h4-13,18H,14-15H2,1-3H3,(H,23,24,25)
InChIKeyUZAMRGVENHHYCZ-UHFFFAOYSA-N
XLogP3.60
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)-2-phenylpropane-1,3-diamine?
The IUPAC name of N,N-dimethyl-N'-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)-2-phenylpropane-1,3-diamine (CID 167775142) is N,N-dimethyl-N'-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)-2-phenylpropane-1,3-diamine.
What is the SMILES notation for N,N-dimethyl-N'-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)-2-phenylpropane-1,3-diamine?
The canonical SMILES for N,N-dimethyl-N'-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)-2-phenylpropane-1,3-diamine is Cc1nc(NCC(CN(C)C)c2ccccc2)cc(-c2ccccn2)n1.
What is the InChIKey of N,N-dimethyl-N'-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)-2-phenylpropane-1,3-diamine?
The InChIKey is UZAMRGVENHHYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-16-24-20(19-11-7-8-12-22-19)13-21(25-16)23-14-18(15-26(2)3)17-9-5-4-6-10-17/h4-13,18H,14-15H2,1-3H3,(H,23,24,25).
What are the key properties of N,N-dimethyl-N'-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)-2-phenylpropane-1,3-diamine?
N,N-dimethyl-N'-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)-2-phenylpropane-1,3-diamine has a molecular weight of 347.47 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)-2-phenylpropane-1,3-diamine is sourced from PubChem (CID 167775142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).