4-N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine

C22H23N7O3 — CID 42602991

IUPAC4-N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCOc1cc(COc2cc(Nc3ccnc(NCc4ccccn4)n3)[nH]n2)cc(OC)c1
InChIInChI=1S/C22H23N7O3/c1-30-17-9-15(10-18(11-17)31-2)14-32-21-12-20(28-29-21)26-19-6-8-24-22(27-19)25-13-16-5-3-4-7-23-16/h3-12H,13-14H2,1-2H3,(H3,24,25,26,27,28,29)
InChIKeyGZJZOXPREUTOOR-UHFFFAOYSA-N
MW433.47 g/mol
LogP3.55
Rot. Bonds10

About 4-N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine

4-N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 42602991) has the molecular formula C22H23N7O3 and a molecular weight of 433.47 g/mol. Its IUPAC name is 4-N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID42602991
Molecular FormulaC22H23N7O3
Molecular Weight433.47 g/mol
Exact Mass433.19
IUPAC Name4-N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCOc1cc(COc2cc(Nc3ccnc(NCc4ccccn4)n3)[nH]n2)cc(OC)c1
InChIInChI=1S/C22H23N7O3/c1-30-17-9-15(10-18(11-17)31-2)14-32-21-12-20(28-29-21)26-19-6-8-24-22(27-19)25-13-16-5-3-4-7-23-16/h3-12H,13-14H2,1-2H3,(H3,24,25,26,27,28,29)
InChIKeyGZJZOXPREUTOOR-UHFFFAOYSA-N
XLogP3.55
TPSA119.10 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (CID 42602991) is 4-N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is COc1cc(COc2cc(Nc3ccnc(NCc4ccccn4)n3)[nH]n2)cc(OC)c1.
What is the InChIKey of 4-N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is GZJZOXPREUTOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O3/c1-30-17-9-15(10-18(11-17)31-2)14-32-21-12-20(28-29-21)26-19-6-8-24-22(27-19)25-13-16-5-3-4-7-23-16/h3-12H,13-14H2,1-2H3,(H3,24,25,26,27,28,29).
What are the key properties of 4-N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
4-N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 433.47 g/mol, XLogP of 3.55, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 42602991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).