4-[4-(dimethylamino)phenyl]-N-methyl-N-[3-(oxolan-2-yl)propyl]pyrimidin-2-amine

C20H28N4O — CID 162626614

IUPAC4-[4-(dimethylamino)phenyl]-N-methyl-N-[3-(oxolan-2-yl)propyl]pyrimidin-2-amine
SMILESCN(C)c1ccc(-c2ccnc(N(C)CCCC3CCCO3)n2)cc1
InChIInChI=1S/C20H28N4O/c1-23(2)17-10-8-16(9-11-17)19-12-13-21-20(22-19)24(3)14-4-6-18-7-5-15-25-18/h8-13,18H,4-7,14-15H2,1-3H3
InChIKeyZOZIQKDFHQHIBY-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.61
Rot. Bonds7

About 4-[4-(dimethylamino)phenyl]-N-methyl-N-[3-(oxolan-2-yl)propyl]pyrimidin-2-amine

4-[4-(dimethylamino)phenyl]-N-methyl-N-[3-(oxolan-2-yl)propyl]pyrimidin-2-amine (PubChem CID 162626614) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 4-[4-(dimethylamino)phenyl]-N-methyl-N-[3-(oxolan-2-yl)propyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(dimethylamino)phenyl]-N-methyl-N-[3-(oxolan-2-yl)propyl]pyrimidin-2-amine
PubChem CID162626614
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name4-[4-(dimethylamino)phenyl]-N-methyl-N-[3-(oxolan-2-yl)propyl]pyrimidin-2-amine
SMILESCN(C)c1ccc(-c2ccnc(N(C)CCCC3CCCO3)n2)cc1
InChIInChI=1S/C20H28N4O/c1-23(2)17-10-8-16(9-11-17)19-12-13-21-20(22-19)24(3)14-4-6-18-7-5-15-25-18/h8-13,18H,4-7,14-15H2,1-3H3
InChIKeyZOZIQKDFHQHIBY-UHFFFAOYSA-N
XLogP3.61
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-methyl-4-N-[3-(oxolan-2-yl)propyl]benzene-1,4-diamine
CID 65162618
N-methyl-N-[[(2S)-oxan-2-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine
CID 97444786
3-(6-cyano-2-pyridinyl)-N-methyl-N-[3-[(2R)-oxolan-2-yl]propyl]benzamide
CID 126444243
4-cyclopentyl-N-methyl-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 56861658
3-[methyl-[3-(oxolan-2-yl)propyl]amino]benzonitrile
CID 65161053
4-[1-hydrazinyl-4-(oxolan-2-yl)butyl]-N,N-dimethylaniline
CID 105314018
4-[methyl-[2-(oxolan-2-yl)ethyl]amino]benzonitrile
CID 65161052
N'-methyl-N-[3-(oxolan-2-yl)propyl]-N'-phenylpropane-1,3-diamine
CID 65163921
2-[methyl(oxolan-2-ylmethyl)amino]pyrimidine-4-carbothioamide
CID 107546808
5-(3-fluorophenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-1,2,4-triazin-3-amine
CID 45208625
N-methyl-4-(3-methyl-4-pyridinyl)-N-[3-(oxolan-2-yl)propyl]benzamide
CID 119067493
2-[3-[methyl-[3-(oxolan-2-yl)propyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 118787231

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)phenyl]-N-methyl-N-[3-(oxolan-2-yl)propyl]pyrimidin-2-amine?
The IUPAC name of 4-[4-(dimethylamino)phenyl]-N-methyl-N-[3-(oxolan-2-yl)propyl]pyrimidin-2-amine (CID 162626614) is 4-[4-(dimethylamino)phenyl]-N-methyl-N-[3-(oxolan-2-yl)propyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[4-(dimethylamino)phenyl]-N-methyl-N-[3-(oxolan-2-yl)propyl]pyrimidin-2-amine?
The canonical SMILES for 4-[4-(dimethylamino)phenyl]-N-methyl-N-[3-(oxolan-2-yl)propyl]pyrimidin-2-amine is CN(C)c1ccc(-c2ccnc(N(C)CCCC3CCCO3)n2)cc1.
What is the InChIKey of 4-[4-(dimethylamino)phenyl]-N-methyl-N-[3-(oxolan-2-yl)propyl]pyrimidin-2-amine?
The InChIKey is ZOZIQKDFHQHIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-23(2)17-10-8-16(9-11-17)19-12-13-21-20(22-19)24(3)14-4-6-18-7-5-15-25-18/h8-13,18H,4-7,14-15H2,1-3H3.
What are the key properties of 4-[4-(dimethylamino)phenyl]-N-methyl-N-[3-(oxolan-2-yl)propyl]pyrimidin-2-amine?
4-[4-(dimethylamino)phenyl]-N-methyl-N-[3-(oxolan-2-yl)propyl]pyrimidin-2-amine has a molecular weight of 340.47 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)phenyl]-N-methyl-N-[3-(oxolan-2-yl)propyl]pyrimidin-2-amine is sourced from PubChem (CID 162626614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).