N-[(2-chlorophenyl)methyl]-N,5,5-trimethyl-4,6-dihydro-1H-pyrimidin-2-amine

C14H20ClN3 — CID 114277190

IUPACN-[(2-chlorophenyl)methyl]-N,5,5-trimethyl-4,6-dihydro-1H-pyrimidin-2-amine
SMILESCN(Cc1ccccc1Cl)C1=NCC(C)(C)CN1
InChIInChI=1S/C14H20ClN3/c1-14(2)9-16-13(17-10-14)18(3)8-11-6-4-5-7-12(11)15/h4-7H,8-10H2,1-3H3,(H,16,17)
InChIKeyPGWNKXSZUARAFV-UHFFFAOYSA-N
MW265.79 g/mol
LogP2.76
Rot. Bonds2

About N-[(2-chlorophenyl)methyl]-N,5,5-trimethyl-4,6-dihydro-1H-pyrimidin-2-amine

N-[(2-chlorophenyl)methyl]-N,5,5-trimethyl-4,6-dihydro-1H-pyrimidin-2-amine (PubChem CID 114277190) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N,5,5-trimethyl-4,6-dihydro-1H-pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N,5,5-trimethyl-4,6-dihydro-1H-pyrimidin-2-amine
PubChem CID114277190
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC NameN-[(2-chlorophenyl)methyl]-N,5,5-trimethyl-4,6-dihydro-1H-pyrimidin-2-amine
SMILESCN(Cc1ccccc1Cl)C1=NCC(C)(C)CN1
InChIInChI=1S/C14H20ClN3/c1-14(2)9-16-13(17-10-14)18(3)8-11-6-4-5-7-12(11)15/h4-7H,8-10H2,1-3H3,(H,16,17)
InChIKeyPGWNKXSZUARAFV-UHFFFAOYSA-N
XLogP2.76
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
[2-[(2-chlorophenyl)methyl-methylamino]-3-pyridinyl]methanol
CID 61417296
1-(2-chlorophenyl)-N-methyl-N-[(4-methylpiperidin-4-yl)methyl]methanamine
CID 63122734
4-chloro-N-[(2-chlorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine
CID 83156449
N-[(2-chlorophenyl)methyl]-N,6-dimethylpyridin-2-amine
CID 133313300
2-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyridin-4-amine
CID 62286232
N-[(2-chlorophenyl)methyl]-N-methyladamantan-1-amine;hydrochloride
CID 21435434
2-[(2-chlorophenyl)methyl-methylamino]propanenitrile
CID 60646463
[2-[(2-chlorophenyl)methyl-methylamino]-4-pyridinyl]methanol
CID 61417390
6-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyridazin-3-amine
CID 61417484
6-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyridin-2-amine
CID 62255692
4-(2-aminoethyl)-N-[(2-chlorophenyl)methyl]-N,1,3-trimethylpyrazol-5-amine
CID 63785903

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N,5,5-trimethyl-4,6-dihydro-1H-pyrimidin-2-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N,5,5-trimethyl-4,6-dihydro-1H-pyrimidin-2-amine (CID 114277190) is N-[(2-chlorophenyl)methyl]-N,5,5-trimethyl-4,6-dihydro-1H-pyrimidin-2-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N,5,5-trimethyl-4,6-dihydro-1H-pyrimidin-2-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N,5,5-trimethyl-4,6-dihydro-1H-pyrimidin-2-amine is CN(Cc1ccccc1Cl)C1=NCC(C)(C)CN1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N,5,5-trimethyl-4,6-dihydro-1H-pyrimidin-2-amine?
The InChIKey is PGWNKXSZUARAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c1-14(2)9-16-13(17-10-14)18(3)8-11-6-4-5-7-12(11)15/h4-7H,8-10H2,1-3H3,(H,16,17).
What are the key properties of N-[(2-chlorophenyl)methyl]-N,5,5-trimethyl-4,6-dihydro-1H-pyrimidin-2-amine?
N-[(2-chlorophenyl)methyl]-N,5,5-trimethyl-4,6-dihydro-1H-pyrimidin-2-amine has a molecular weight of 265.79 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N,5,5-trimethyl-4,6-dihydro-1H-pyrimidin-2-amine is sourced from PubChem (CID 114277190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).