N-[2-(2-methoxyphenyl)ethyl]-6-[2-(methylamino)pyrimidin-5-yl]pyrimidin-4-amine

C18H20N6O — CID 123763987

IUPACN-[2-(2-methoxyphenyl)ethyl]-6-[2-(methylamino)pyrimidin-5-yl]pyrimidin-4-amine
SMILESCNc1ncc(-c2cc(NCCc3ccccc3OC)ncn2)cn1
InChIInChI=1S/C18H20N6O/c1-19-18-21-10-14(11-22-18)15-9-17(24-12-23-15)20-8-7-13-5-3-4-6-16(13)25-2/h3-6,9-12H,7-8H2,1-2H3,(H,19,21,22)(H,20,23,24)
InChIKeyJITZQGGLJQKGRM-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.64
Rot. Bonds7

About N-[2-(2-methoxyphenyl)ethyl]-6-[2-(methylamino)pyrimidin-5-yl]pyrimidin-4-amine

N-[2-(2-methoxyphenyl)ethyl]-6-[2-(methylamino)pyrimidin-5-yl]pyrimidin-4-amine (PubChem CID 123763987) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-6-[2-(methylamino)pyrimidin-5-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-6-[2-(methylamino)pyrimidin-5-yl]pyrimidin-4-amine
PubChem CID123763987
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-6-[2-(methylamino)pyrimidin-5-yl]pyrimidin-4-amine
SMILESCNc1ncc(-c2cc(NCCc3ccccc3OC)ncn2)cn1
InChIInChI=1S/C18H20N6O/c1-19-18-21-10-14(11-22-18)15-9-17(24-12-23-15)20-8-7-13-5-3-4-6-16(13)25-2/h3-6,9-12H,7-8H2,1-2H3,(H,19,21,22)(H,20,23,24)
InChIKeyJITZQGGLJQKGRM-UHFFFAOYSA-N
XLogP2.64
TPSA84.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-6-(2-methylpyrimidin-5-yl)pyrimidin-4-amine
CID 123915678
N-[2-(2-methoxyphenyl)ethyl]-6-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrimidin-4-amine
CID 73214354
6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112855105
N-[2-(2-methoxyphenyl)ethyl]-6-(1-methylindazol-5-yl)pyrimidin-4-amine
CID 73214502
N-(2-cyanoethyl)-5-[6-[2-(2-methoxyphenyl)ethylamino]pyrimidin-4-yl]pyridine-2-carboxamide
CID 130428690
5-[[2-(2-methoxyphenyl)ethylamino]methyl]-N-methylpyrimidin-2-amine
CID 102536210
N-[2-(2-methoxyphenyl)ethyl]-6-[2-(2H-tetrazol-5-ylamino)-4-pyridinyl]pyrimidin-4-amine
CID 123137691
4-N-(3,5-dimethylphenyl)-6-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861517
5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine
CID 106262690
4-N-(3-chlorophenyl)-6-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861528
N-[2-(2-methoxyphenyl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 125177138
N-butyl-6-(2-methoxyphenyl)pyrimidin-4-amine
CID 69178153

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-6-[2-(methylamino)pyrimidin-5-yl]pyrimidin-4-amine?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-6-[2-(methylamino)pyrimidin-5-yl]pyrimidin-4-amine (CID 123763987) is N-[2-(2-methoxyphenyl)ethyl]-6-[2-(methylamino)pyrimidin-5-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-6-[2-(methylamino)pyrimidin-5-yl]pyrimidin-4-amine?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-6-[2-(methylamino)pyrimidin-5-yl]pyrimidin-4-amine is CNc1ncc(-c2cc(NCCc3ccccc3OC)ncn2)cn1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-6-[2-(methylamino)pyrimidin-5-yl]pyrimidin-4-amine?
The InChIKey is JITZQGGLJQKGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-19-18-21-10-14(11-22-18)15-9-17(24-12-23-15)20-8-7-13-5-3-4-6-16(13)25-2/h3-6,9-12H,7-8H2,1-2H3,(H,19,21,22)(H,20,23,24).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-6-[2-(methylamino)pyrimidin-5-yl]pyrimidin-4-amine?
N-[2-(2-methoxyphenyl)ethyl]-6-[2-(methylamino)pyrimidin-5-yl]pyrimidin-4-amine has a molecular weight of 336.40 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-6-[2-(methylamino)pyrimidin-5-yl]pyrimidin-4-amine is sourced from PubChem (CID 123763987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).