N-(cyclopropylmethyl)-2-(2,4-dimethoxyphenyl)-4-ethyl-6-methoxy-N-propylpyrimidin-5-amine

C22H31N3O3 — CID 22324323

IUPACN-(cyclopropylmethyl)-2-(2,4-dimethoxyphenyl)-4-ethyl-6-methoxy-N-propylpyrimidin-5-amine
SMILESCCCN(CC1CC1)c1c(CC)nc(-c2ccc(OC)cc2OC)nc1OC
InChIInChI=1S/C22H31N3O3/c1-6-12-25(14-15-8-9-15)20-18(7-2)23-21(24-22(20)28-5)17-11-10-16(26-3)13-19(17)27-4/h10-11,13,15H,6-9,12,14H2,1-5H3
InChIKeyQAKNCICKENGLPR-UHFFFAOYSA-N
MW385.51 g/mol
LogP4.36
Rot. Bonds10

About N-(cyclopropylmethyl)-2-(2,4-dimethoxyphenyl)-4-ethyl-6-methoxy-N-propylpyrimidin-5-amine

N-(cyclopropylmethyl)-2-(2,4-dimethoxyphenyl)-4-ethyl-6-methoxy-N-propylpyrimidin-5-amine (PubChem CID 22324323) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(2,4-dimethoxyphenyl)-4-ethyl-6-methoxy-N-propylpyrimidin-5-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(2,4-dimethoxyphenyl)-4-ethyl-6-methoxy-N-propylpyrimidin-5-amine
PubChem CID22324323
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC NameN-(cyclopropylmethyl)-2-(2,4-dimethoxyphenyl)-4-ethyl-6-methoxy-N-propylpyrimidin-5-amine
SMILESCCCN(CC1CC1)c1c(CC)nc(-c2ccc(OC)cc2OC)nc1OC
InChIInChI=1S/C22H31N3O3/c1-6-12-25(14-15-8-9-15)20-18(7-2)23-21(24-22(20)28-5)17-11-10-16(26-3)13-19(17)27-4/h10-11,13,15H,6-9,12,14H2,1-5H3
InChIKeyQAKNCICKENGLPR-UHFFFAOYSA-N
XLogP4.36
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(2,4-dimethoxyphenyl)-4-ethyl-6-methoxy-N-propylpyrimidin-5-amine?
The IUPAC name of N-(cyclopropylmethyl)-2-(2,4-dimethoxyphenyl)-4-ethyl-6-methoxy-N-propylpyrimidin-5-amine (CID 22324323) is N-(cyclopropylmethyl)-2-(2,4-dimethoxyphenyl)-4-ethyl-6-methoxy-N-propylpyrimidin-5-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(2,4-dimethoxyphenyl)-4-ethyl-6-methoxy-N-propylpyrimidin-5-amine?
The canonical SMILES for N-(cyclopropylmethyl)-2-(2,4-dimethoxyphenyl)-4-ethyl-6-methoxy-N-propylpyrimidin-5-amine is CCCN(CC1CC1)c1c(CC)nc(-c2ccc(OC)cc2OC)nc1OC.
What is the InChIKey of N-(cyclopropylmethyl)-2-(2,4-dimethoxyphenyl)-4-ethyl-6-methoxy-N-propylpyrimidin-5-amine?
The InChIKey is QAKNCICKENGLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-6-12-25(14-15-8-9-15)20-18(7-2)23-21(24-22(20)28-5)17-11-10-16(26-3)13-19(17)27-4/h10-11,13,15H,6-9,12,14H2,1-5H3.
What are the key properties of N-(cyclopropylmethyl)-2-(2,4-dimethoxyphenyl)-4-ethyl-6-methoxy-N-propylpyrimidin-5-amine?
N-(cyclopropylmethyl)-2-(2,4-dimethoxyphenyl)-4-ethyl-6-methoxy-N-propylpyrimidin-5-amine has a molecular weight of 385.51 g/mol, XLogP of 4.36, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(2,4-dimethoxyphenyl)-4-ethyl-6-methoxy-N-propylpyrimidin-5-amine is sourced from PubChem (CID 22324323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).