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

C14H17N3O3 — CID 868190

IUPACN-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
SMILESCOc1cc(CNc2ncccn2)cc(OC)c1OC
InChIInChI=1S/C14H17N3O3/c1-18-11-7-10(8-12(19-2)13(11)20-3)9-17-14-15-5-4-6-16-14/h4-8H,9H2,1-3H3,(H,15,16,17)
InChIKeyQTLQVYKCSUNYRY-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.11
Rot. Bonds6

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

N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine (PubChem CID 868190) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
PubChem CID868190
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
SMILESCOc1cc(CNc2ncccn2)cc(OC)c1OC
InChIInChI=1S/C14H17N3O3/c1-18-11-7-10(8-12(19-2)13(11)20-3)9-17-14-15-5-4-6-16-14/h4-8H,9H2,1-3H3,(H,15,16,17)
InChIKeyQTLQVYKCSUNYRY-UHFFFAOYSA-N
XLogP2.11
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
CID 171705192
N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine
CID 2446536
4-phenylsulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
CID 24989920
N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 521855
2-chloro-N-[(3-chloro-4,5-dimethoxyphenyl)methyl]pyridin-3-amine
CID 43782434
6-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine
CID 78851491
3,5-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
CID 23880433
1-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 47008253
2-N-cyclohexyl-4-N,6-N-bis[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 59302702
6-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine
CID 103926109
1-pyridin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine chloride
CID 53351776
3,5-dichloro-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
CID 23766005

Frequently Asked Questions

What is the IUPAC name of N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine?
The IUPAC name of N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine (CID 868190) is N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine?
The canonical SMILES for N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine is COc1cc(CNc2ncccn2)cc(OC)c1OC.
What is the InChIKey of N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine?
The InChIKey is QTLQVYKCSUNYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-18-11-7-10(8-12(19-2)13(11)20-3)9-17-14-15-5-4-6-16-14/h4-8H,9H2,1-3H3,(H,15,16,17).
What are the key properties of N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine?
N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine has a molecular weight of 275.31 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 868190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).