N-[2-(2-methoxyphenyl)ethyl]-6-(1-methylindazol-5-yl)pyrimidin-4-amine

C21H21N5O — CID 73214502

IUPACN-[2-(2-methoxyphenyl)ethyl]-6-(1-methylindazol-5-yl)pyrimidin-4-amine
SMILESCOc1ccccc1CCNc1cc(-c2ccc3c(cnn3C)c2)ncn1
InChIInChI=1S/C21H21N5O/c1-26-19-8-7-16(11-17(19)13-25-26)18-12-21(24-14-23-18)22-10-9-15-5-3-4-6-20(15)27-2/h3-8,11-14H,9-10H2,1-2H3,(H,22,23,24)
InChIKeyTVFBZTLRDMBBRD-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.69
Rot. Bonds6

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

N-[2-(2-methoxyphenyl)ethyl]-6-(1-methylindazol-5-yl)pyrimidin-4-amine (PubChem CID 73214502) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-6-(1-methylindazol-5-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-6-(1-methylindazol-5-yl)pyrimidin-4-amine
PubChem CID73214502
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-6-(1-methylindazol-5-yl)pyrimidin-4-amine
SMILESCOc1ccccc1CCNc1cc(-c2ccc3c(cnn3C)c2)ncn1
InChIInChI=1S/C21H21N5O/c1-26-19-8-7-16(11-17(19)13-25-26)18-12-21(24-14-23-18)22-10-9-15-5-3-4-6-20(15)27-2/h3-8,11-14H,9-10H2,1-2H3,(H,22,23,24)
InChIKeyTVFBZTLRDMBBRD-UHFFFAOYSA-N
XLogP3.69
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-6-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrimidin-4-amine
CID 73214354
N-[2-(2-methoxyphenyl)ethyl]-6-(2-methylpyrimidin-5-yl)pyrimidin-4-amine
CID 123915678
N-[2-(2-methoxyphenyl)ethyl]-6-[2-(methylamino)pyrimidin-5-yl]pyrimidin-4-amine
CID 123763987
3-methoxy-N-methyl-4-[1-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]propan-2-yl]benzamide
CID 123346436
6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112855105
N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-(1-methylindazol-6-yl)pyrimidin-4-amine
CID 135333474
N-[2-(2-methoxyphenyl)ethyl]-6-[2-(2H-tetrazol-5-ylamino)-4-pyridinyl]pyrimidin-4-amine
CID 123137691
N-(2-cyanoethyl)-5-[6-[2-(2-methoxyphenyl)ethylamino]pyrimidin-4-yl]pyridine-2-carboxamide
CID 130428690
5-methoxy-1-N,2-N-dimethyl-4-N-[6-(1-methylindazol-5-yl)pyrimidin-4-yl]-1-N-[2-(propan-2-ylamino)ethyl]benzene-1,2,4-triamine
CID 146561385
4-N-(3,5-dimethylphenyl)-6-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861517
N-[2-(2-ethoxyphenyl)ethyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine
CID 130428592
4-N-(3-chlorophenyl)-6-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861528

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-6-(1-methylindazol-5-yl)pyrimidin-4-amine?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-6-(1-methylindazol-5-yl)pyrimidin-4-amine (CID 73214502) is N-[2-(2-methoxyphenyl)ethyl]-6-(1-methylindazol-5-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-6-(1-methylindazol-5-yl)pyrimidin-4-amine?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-6-(1-methylindazol-5-yl)pyrimidin-4-amine is COc1ccccc1CCNc1cc(-c2ccc3c(cnn3C)c2)ncn1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-6-(1-methylindazol-5-yl)pyrimidin-4-amine?
The InChIKey is TVFBZTLRDMBBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-26-19-8-7-16(11-17(19)13-25-26)18-12-21(24-14-23-18)22-10-9-15-5-3-4-6-20(15)27-2/h3-8,11-14H,9-10H2,1-2H3,(H,22,23,24).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-6-(1-methylindazol-5-yl)pyrimidin-4-amine?
N-[2-(2-methoxyphenyl)ethyl]-6-(1-methylindazol-5-yl)pyrimidin-4-amine has a molecular weight of 359.43 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-6-(1-methylindazol-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 73214502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).