4-(2-chloro-4,6-dimethoxyphenyl)-N-(dicyclopropylmethyl)-N-propylpyrimidin-2-amine

C22H28ClN3O2 — CID 10024020

IUPAC4-(2-chloro-4,6-dimethoxyphenyl)-N-(dicyclopropylmethyl)-N-propylpyrimidin-2-amine
SMILESCCCN(c1nccc(-c2c(Cl)cc(OC)cc2OC)n1)C(C1CC1)C1CC1
InChIInChI=1S/C22H28ClN3O2/c1-4-11-26(21(14-5-6-14)15-7-8-15)22-24-10-9-18(25-22)20-17(23)12-16(27-2)13-19(20)28-3/h9-10,12-15,21H,4-8,11H2,1-3H3
InChIKeySPFHQARDCUZUIU-UHFFFAOYSA-N
MW401.94 g/mol
LogP5.22
Rot. Bonds9

About 4-(2-chloro-4,6-dimethoxyphenyl)-N-(dicyclopropylmethyl)-N-propylpyrimidin-2-amine

4-(2-chloro-4,6-dimethoxyphenyl)-N-(dicyclopropylmethyl)-N-propylpyrimidin-2-amine (PubChem CID 10024020) has the molecular formula C22H28ClN3O2 and a molecular weight of 401.94 g/mol. Its IUPAC name is 4-(2-chloro-4,6-dimethoxyphenyl)-N-(dicyclopropylmethyl)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-chloro-4,6-dimethoxyphenyl)-N-(dicyclopropylmethyl)-N-propylpyrimidin-2-amine
PubChem CID10024020
Molecular FormulaC22H28ClN3O2
Molecular Weight401.94 g/mol
Exact Mass401.19
IUPAC Name4-(2-chloro-4,6-dimethoxyphenyl)-N-(dicyclopropylmethyl)-N-propylpyrimidin-2-amine
SMILESCCCN(c1nccc(-c2c(Cl)cc(OC)cc2OC)n1)C(C1CC1)C1CC1
InChIInChI=1S/C22H28ClN3O2/c1-4-11-26(21(14-5-6-14)15-7-8-15)22-24-10-9-18(25-22)20-17(23)12-16(27-2)13-19(20)28-3/h9-10,12-15,21H,4-8,11H2,1-3H3
InChIKeySPFHQARDCUZUIU-UHFFFAOYSA-N
XLogP5.22
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.94
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4,6-dimethoxyphenyl)-N-(dicyclopropylmethyl)-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(2-chloro-4,6-dimethoxyphenyl)-N-(dicyclopropylmethyl)-N-propylpyrimidin-2-amine (CID 10024020) is 4-(2-chloro-4,6-dimethoxyphenyl)-N-(dicyclopropylmethyl)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-chloro-4,6-dimethoxyphenyl)-N-(dicyclopropylmethyl)-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(2-chloro-4,6-dimethoxyphenyl)-N-(dicyclopropylmethyl)-N-propylpyrimidin-2-amine is CCCN(c1nccc(-c2c(Cl)cc(OC)cc2OC)n1)C(C1CC1)C1CC1.
What is the InChIKey of 4-(2-chloro-4,6-dimethoxyphenyl)-N-(dicyclopropylmethyl)-N-propylpyrimidin-2-amine?
The InChIKey is SPFHQARDCUZUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O2/c1-4-11-26(21(14-5-6-14)15-7-8-15)22-24-10-9-18(25-22)20-17(23)12-16(27-2)13-19(20)28-3/h9-10,12-15,21H,4-8,11H2,1-3H3.
What are the key properties of 4-(2-chloro-4,6-dimethoxyphenyl)-N-(dicyclopropylmethyl)-N-propylpyrimidin-2-amine?
4-(2-chloro-4,6-dimethoxyphenyl)-N-(dicyclopropylmethyl)-N-propylpyrimidin-2-amine has a molecular weight of 401.94 g/mol, XLogP of 5.22, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4,6-dimethoxyphenyl)-N-(dicyclopropylmethyl)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 10024020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).