5-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine

C14H16ClN3O3 — CID 171705192

IUPAC5-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
SMILESCOc1cc(CNc2ncc(Cl)cn2)cc(OC)c1OC
InChIInChI=1S/C14H16ClN3O3/c1-19-11-4-9(5-12(20-2)13(11)21-3)6-16-14-17-7-10(15)8-18-14/h4-5,7-8H,6H2,1-3H3,(H,16,17,18)
InChIKeyIFZKVOVUHLGUFL-UHFFFAOYSA-N
MW309.75 g/mol
LogP2.77
Rot. Bonds6

About 5-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine

5-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine (PubChem CID 171705192) has the molecular formula C14H16ClN3O3 and a molecular weight of 309.75 g/mol. Its IUPAC name is 5-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
PubChem CID171705192
Molecular FormulaC14H16ClN3O3
Molecular Weight309.75 g/mol
Exact Mass309.09
IUPAC Name5-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
SMILESCOc1cc(CNc2ncc(Cl)cn2)cc(OC)c1OC
InChIInChI=1S/C14H16ClN3O3/c1-19-11-4-9(5-12(20-2)13(11)21-3)6-16-14-17-7-10(15)8-18-14/h4-5,7-8H,6H2,1-3H3,(H,16,17,18)
InChIKeyIFZKVOVUHLGUFL-UHFFFAOYSA-N
XLogP2.77
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
CID 868190
3,5-dichloro-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
CID 23766005
6-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine
CID 78851491
N-[(3,4,5-trimethoxyphenyl)methyl]thieno[3,2-d]pyrimidin-2-amine
CID 163723742
5-(4-methoxyphenyl)-4-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
CID 171989060
6-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine
CID 70854812
6-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine
CID 103926109
N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 521855
3,5-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
CID 23880433
2-N-cyclohexyl-4-N,6-N-bis[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 59302702
1-pyridin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine chloride
CID 53351776
2-N-benzyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 23452352

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine (CID 171705192) is 5-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine is COc1cc(CNc2ncc(Cl)cn2)cc(OC)c1OC.
What is the InChIKey of 5-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine?
The InChIKey is IFZKVOVUHLGUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3/c1-19-11-4-9(5-12(20-2)13(11)21-3)6-16-14-17-7-10(15)8-18-14/h4-5,7-8H,6H2,1-3H3,(H,16,17,18).
What are the key properties of 5-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine?
5-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine has a molecular weight of 309.75 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 171705192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).