N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxypyrimidin-2-amine

C16H16ClN5O — CID 94497913

IUPACN-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(N[C@H](c2ccc(Cl)cc2)c2nccn2C)n1
InChIInChI=1S/C16H16ClN5O/c1-22-10-9-18-15(22)14(11-3-5-12(17)6-4-11)21-16-19-8-7-13(20-16)23-2/h3-10,14H,1-2H3,(H,19,20,21)/t14-/m1/s1
InChIKeySDDLUFAJKDFPAD-CQSZACIVSA-N
MW329.79 g/mol
LogP3.07
Rot. Bonds5

About N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxypyrimidin-2-amine

N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxypyrimidin-2-amine (PubChem CID 94497913) has the molecular formula C16H16ClN5O and a molecular weight of 329.79 g/mol. Its IUPAC name is N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxypyrimidin-2-amine
PubChem CID94497913
Molecular FormulaC16H16ClN5O
Molecular Weight329.79 g/mol
Exact Mass329.10
IUPAC NameN-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(N[C@H](c2ccc(Cl)cc2)c2nccn2C)n1
InChIInChI=1S/C16H16ClN5O/c1-22-10-9-18-15(22)14(11-3-5-12(17)6-4-11)21-16-19-8-7-13(20-16)23-2/h3-10,14H,1-2H3,(H,19,20,21)/t14-/m1/s1
InChIKeySDDLUFAJKDFPAD-CQSZACIVSA-N
XLogP3.07
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine
CID 35784614
4-methoxy-N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine
CID 30160578
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 42941869
2-(4-chlorophenyl)sulfanyl-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 24535478
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 51559087
(2R)-2-amino-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide;hydrochloride
CID 119273847
3-(3,5-dichlorophenyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine
CID 133331203
1-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2R)-1-methoxypropan-2-yl]urea
CID 95129972
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 25344777
2-(4-chlorophenyl)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 9247935
1-(4-chlorophenyl)-1-(1-methylimidazol-2-yl)-N-[(2-methyl-1,3-oxazol-5-yl)methyl]methanamine
CID 166237215
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methoxyphenyl)acetamide
CID 25351466

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxypyrimidin-2-amine?
The IUPAC name of N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxypyrimidin-2-amine (CID 94497913) is N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxypyrimidin-2-amine.
What is the SMILES notation for N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxypyrimidin-2-amine?
The canonical SMILES for N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxypyrimidin-2-amine is COc1ccnc(N[C@H](c2ccc(Cl)cc2)c2nccn2C)n1.
What is the InChIKey of N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxypyrimidin-2-amine?
The InChIKey is SDDLUFAJKDFPAD-CQSZACIVSA-N. The full InChI is InChI=1S/C16H16ClN5O/c1-22-10-9-18-15(22)14(11-3-5-12(17)6-4-11)21-16-19-8-7-13(20-16)23-2/h3-10,14H,1-2H3,(H,19,20,21)/t14-/m1/s1.
What are the key properties of N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxypyrimidin-2-amine?
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxypyrimidin-2-amine has a molecular weight of 329.79 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 94497913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).