N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-1H-indazol-5-amine

C18H15N5O — CID 68913809

IUPACN-[6-(2-methoxyphenyl)pyrimidin-4-yl]-1H-indazol-5-amine
SMILESCOc1ccccc1-c1cc(Nc2ccc3[nH]ncc3c2)ncn1
InChIInChI=1S/C18H15N5O/c1-24-17-5-3-2-4-14(17)16-9-18(20-11-19-16)22-13-6-7-15-12(8-13)10-21-23-15/h2-11H,1H3,(H,21,23)(H,19,20,22)
InChIKeyLPVLIUFYYZNAHA-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.77
Rot. Bonds4

About N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-1H-indazol-5-amine

N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-1H-indazol-5-amine (PubChem CID 68913809) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[6-(2-methoxyphenyl)pyrimidin-4-yl]-1H-indazol-5-amine
PubChem CID68913809
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC NameN-[6-(2-methoxyphenyl)pyrimidin-4-yl]-1H-indazol-5-amine
SMILESCOc1ccccc1-c1cc(Nc2ccc3[nH]ncc3c2)ncn1
InChIInChI=1S/C18H15N5O/c1-24-17-5-3-2-4-14(17)16-9-18(20-11-19-16)22-13-6-7-15-12(8-13)10-21-23-15/h2-11H,1H3,(H,21,23)(H,19,20,22)
InChIKeyLPVLIUFYYZNAHA-UHFFFAOYSA-N
XLogP3.77
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-1-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]benzene-1,3-diamine
CID 68910908
benzyl-[[2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl]azanium
CID 144580791
[2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl] N,N-dimethylcarbamate
CID 73335147
N-[6-(4-aminonaphthalen-1-yl)oxypyrimidin-4-yl]-1H-indazol-5-amine
CID 90005004
methyl 2-ethoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]benzoate
CID 144580770
[4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl] 2,2-dimethylpropanoate
CID 174930706
3-N-[ethoxy(ethyl)phosphoryl]-1-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-4-methylbenzene-1,3-diamine
CID 90656365
1-[3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]-N-propylmethanesulfonamide
CID 58550533
N-tert-butyl-3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]benzenesulfonamide
CID 68913394
3-amino-3-[4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]propanamide
CID 68911475
2-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]benzaldehyde
CID 158811665
4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-N-pyrrolidin-3-ylbenzamide
CID 68915590

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-1H-indazol-5-amine?
The IUPAC name of N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-1H-indazol-5-amine (CID 68913809) is N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-1H-indazol-5-amine.
What is the SMILES notation for N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-1H-indazol-5-amine?
The canonical SMILES for N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-1H-indazol-5-amine is COc1ccccc1-c1cc(Nc2ccc3[nH]ncc3c2)ncn1.
What is the InChIKey of N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-1H-indazol-5-amine?
The InChIKey is LPVLIUFYYZNAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-24-17-5-3-2-4-14(17)16-9-18(20-11-19-16)22-13-6-7-15-12(8-13)10-21-23-15/h2-11H,1H3,(H,21,23)(H,19,20,22).
What are the key properties of N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-1H-indazol-5-amine?
N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-1H-indazol-5-amine has a molecular weight of 317.35 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-1H-indazol-5-amine is sourced from PubChem (CID 68913809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).