N-cyclopropyl-2-(methoxymethyl)-N-[(2-methoxyphenyl)methyl]-6-(oxolan-3-yl)pyrimidin-4-amine

C21H27N3O3 — CID 119065901

IUPACN-cyclopropyl-2-(methoxymethyl)-N-[(2-methoxyphenyl)methyl]-6-(oxolan-3-yl)pyrimidin-4-amine
SMILESCOCc1nc(C2CCOC2)cc(N(Cc2ccccc2OC)C2CC2)n1
InChIInChI=1S/C21H27N3O3/c1-25-14-20-22-18(16-9-10-27-13-16)11-21(23-20)24(17-7-8-17)12-15-5-3-4-6-19(15)26-2/h3-6,11,16-17H,7-10,12-14H2,1-2H3
InChIKeyGMELWORACKMULC-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.30
Rot. Bonds8

About N-cyclopropyl-2-(methoxymethyl)-N-[(2-methoxyphenyl)methyl]-6-(oxolan-3-yl)pyrimidin-4-amine

N-cyclopropyl-2-(methoxymethyl)-N-[(2-methoxyphenyl)methyl]-6-(oxolan-3-yl)pyrimidin-4-amine (PubChem CID 119065901) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-cyclopropyl-2-(methoxymethyl)-N-[(2-methoxyphenyl)methyl]-6-(oxolan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-2-(methoxymethyl)-N-[(2-methoxyphenyl)methyl]-6-(oxolan-3-yl)pyrimidin-4-amine
PubChem CID119065901
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-cyclopropyl-2-(methoxymethyl)-N-[(2-methoxyphenyl)methyl]-6-(oxolan-3-yl)pyrimidin-4-amine
SMILESCOCc1nc(C2CCOC2)cc(N(Cc2ccccc2OC)C2CC2)n1
InChIInChI=1S/C21H27N3O3/c1-25-14-20-22-18(16-9-10-27-13-16)11-21(23-20)24(17-7-8-17)12-15-5-3-4-6-19(15)26-2/h3-6,11,16-17H,7-10,12-14H2,1-2H3
InChIKeyGMELWORACKMULC-UHFFFAOYSA-N
XLogP3.30
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-N-ethyl-2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-amine
CID 119070220
2-(methoxymethyl)-N-methyl-6-[(3S)-oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 126448408
2-(methoxymethyl)-N-methyl-6-(oxolan-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 119063002
2-(methoxymethyl)-4-[(3R)-oxolan-3-yl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 126448608
2-[4-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]phenol
CID 126442787
N-cyclopropyl-N-[(3-methoxyphenyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 126448627
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(methoxymethyl)-N-methyl-6-(oxolan-3-yl)pyrimidin-4-amine
CID 119073075
4-N-[(5-chloro-2-methoxyphenyl)methyl]-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126452160
5-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]pyrazine-2-carboxylic acid
CID 122047834
N-[2-(2-methoxyphenyl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 125177138
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 126429104
N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 125167730

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(methoxymethyl)-N-[(2-methoxyphenyl)methyl]-6-(oxolan-3-yl)pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-2-(methoxymethyl)-N-[(2-methoxyphenyl)methyl]-6-(oxolan-3-yl)pyrimidin-4-amine (CID 119065901) is N-cyclopropyl-2-(methoxymethyl)-N-[(2-methoxyphenyl)methyl]-6-(oxolan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-2-(methoxymethyl)-N-[(2-methoxyphenyl)methyl]-6-(oxolan-3-yl)pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-2-(methoxymethyl)-N-[(2-methoxyphenyl)methyl]-6-(oxolan-3-yl)pyrimidin-4-amine is COCc1nc(C2CCOC2)cc(N(Cc2ccccc2OC)C2CC2)n1.
What is the InChIKey of N-cyclopropyl-2-(methoxymethyl)-N-[(2-methoxyphenyl)methyl]-6-(oxolan-3-yl)pyrimidin-4-amine?
The InChIKey is GMELWORACKMULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-25-14-20-22-18(16-9-10-27-13-16)11-21(23-20)24(17-7-8-17)12-15-5-3-4-6-19(15)26-2/h3-6,11,16-17H,7-10,12-14H2,1-2H3.
What are the key properties of N-cyclopropyl-2-(methoxymethyl)-N-[(2-methoxyphenyl)methyl]-6-(oxolan-3-yl)pyrimidin-4-amine?
N-cyclopropyl-2-(methoxymethyl)-N-[(2-methoxyphenyl)methyl]-6-(oxolan-3-yl)pyrimidin-4-amine has a molecular weight of 369.47 g/mol, XLogP of 3.30, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(methoxymethyl)-N-[(2-methoxyphenyl)methyl]-6-(oxolan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 119065901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).