N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-[1-(2-methoxyphenyl)pyrazol-4-yl]pyrimidin-2-amine

C20H21N7O — CID 46998820

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-[1-(2-methoxyphenyl)pyrazol-4-yl]pyrimidin-2-amine
SMILESCOc1ccccc1-n1cc(-c2ccnc(NCc3c(C)n[nH]c3C)n2)cn1
InChIInChI=1S/C20H21N7O/c1-13-16(14(2)26-25-13)11-22-20-21-9-8-17(24-20)15-10-23-27(12-15)18-6-4-5-7-19(18)28-3/h4-10,12H,11H2,1-3H3,(H,25,26)(H,21,22,24)
InChIKeyCVFPVPUTVIAVER-UHFFFAOYSA-N
MW375.44 g/mol
LogP3.29
Rot. Bonds6

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-[1-(2-methoxyphenyl)pyrazol-4-yl]pyrimidin-2-amine

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-[1-(2-methoxyphenyl)pyrazol-4-yl]pyrimidin-2-amine (PubChem CID 46998820) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-[1-(2-methoxyphenyl)pyrazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-[1-(2-methoxyphenyl)pyrazol-4-yl]pyrimidin-2-amine
PubChem CID46998820
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-[1-(2-methoxyphenyl)pyrazol-4-yl]pyrimidin-2-amine
SMILESCOc1ccccc1-n1cc(-c2ccnc(NCc3c(C)n[nH]c3C)n2)cn1
InChIInChI=1S/C20H21N7O/c1-13-16(14(2)26-25-13)11-22-20-21-9-8-17(24-20)15-10-23-27(12-15)18-6-4-5-7-19(18)28-3/h4-10,12H,11H2,1-3H3,(H,25,26)(H,21,22,24)
InChIKeyCVFPVPUTVIAVER-UHFFFAOYSA-N
XLogP3.29
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-[1-(2-methoxyphenyl)pyrazol-4-yl]pyrimidin-2-amine?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-[1-(2-methoxyphenyl)pyrazol-4-yl]pyrimidin-2-amine (CID 46998820) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-[1-(2-methoxyphenyl)pyrazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-[1-(2-methoxyphenyl)pyrazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-[1-(2-methoxyphenyl)pyrazol-4-yl]pyrimidin-2-amine is COc1ccccc1-n1cc(-c2ccnc(NCc3c(C)n[nH]c3C)n2)cn1.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-[1-(2-methoxyphenyl)pyrazol-4-yl]pyrimidin-2-amine?
The InChIKey is CVFPVPUTVIAVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O/c1-13-16(14(2)26-25-13)11-22-20-21-9-8-17(24-20)15-10-23-27(12-15)18-6-4-5-7-19(18)28-3/h4-10,12H,11H2,1-3H3,(H,25,26)(H,21,22,24).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-[1-(2-methoxyphenyl)pyrazol-4-yl]pyrimidin-2-amine?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-[1-(2-methoxyphenyl)pyrazol-4-yl]pyrimidin-2-amine has a molecular weight of 375.44 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-[1-(2-methoxyphenyl)pyrazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 46998820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).