N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine

C23H27N5O2 — CID 133357134

IUPACN-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine
SMILESCOc1cc(OC)cc(N2CCC(Nc3nc(-c4ccncc4)nc(C)c3C)C2)c1
InChIInChI=1S/C23H27N5O2/c1-15-16(2)25-23(17-5-8-24-9-6-17)27-22(15)26-18-7-10-28(14-18)19-11-20(29-3)13-21(12-19)30-4/h5-6,8-9,11-13,18H,7,10,14H2,1-4H3,(H,25,26,27)
InChIKeyFDZREPOVWGTSSL-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.86
Rot. Bonds6

About N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine

N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine (PubChem CID 133357134) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine
PubChem CID133357134
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC NameN-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine
SMILESCOc1cc(OC)cc(N2CCC(Nc3nc(-c4ccncc4)nc(C)c3C)C2)c1
InChIInChI=1S/C23H27N5O2/c1-15-16(2)25-23(17-5-8-24-9-6-17)27-22(15)26-18-7-10-28(14-18)19-11-20(29-3)13-21(12-19)30-4/h5-6,8-9,11-13,18H,7,10,14H2,1-4H3,(H,25,26,27)
InChIKeyFDZREPOVWGTSSL-UHFFFAOYSA-N
XLogP3.86
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5,6-dimethyl-N-[(3R)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-2-pyridin-3-ylpyrimidin-4-amine
CID 96517293
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 133347901
N-(3,5-dimethoxyphenyl)-1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-amine
CID 133337542
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-6-propan-2-yloxypyrazin-2-amine
CID 133485329
N-(3-ethylsulfinylcyclohexyl)-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 133338091
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1-(4-methylphenyl)tetrazol-5-amine
CID 133357170
1-(3,5-dimethoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine
CID 71980341
2-N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 133357204
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133358055
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 133357180
5,6-dimethyl-N-(piperidin-4-ylmethyl)-2-pyridin-4-ylpyrimidin-4-amine
CID 56768152
6-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]amino]pyridine-3-sulfonamide
CID 154757700

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine (CID 133357134) is N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine is COc1cc(OC)cc(N2CCC(Nc3nc(-c4ccncc4)nc(C)c3C)C2)c1.
What is the InChIKey of N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is FDZREPOVWGTSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-15-16(2)25-23(17-5-8-24-9-6-17)27-22(15)26-18-7-10-28(14-18)19-11-20(29-3)13-21(12-19)30-4/h5-6,8-9,11-13,18H,7,10,14H2,1-4H3,(H,25,26,27).
What are the key properties of N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine?
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 405.50 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 133357134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).