N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1H-indazol-7-amine

C14H15N5O2 — CID 43730940

IUPACN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1H-indazol-7-amine
SMILESCOc1ncnc(OC)c1CNc1cccc2cn[nH]c12
InChIInChI=1S/C14H15N5O2/c1-20-13-10(14(21-2)17-8-16-13)7-15-11-5-3-4-9-6-18-19-12(9)11/h3-6,8,15H,7H2,1-2H3,(H,18,19)
InChIKeyDNZGESMWLMXUMC-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.98
Rot. Bonds5

About N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1H-indazol-7-amine

N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1H-indazol-7-amine (PubChem CID 43730940) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1H-indazol-7-amine.

Molecular Properties

Compound NameN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1H-indazol-7-amine
PubChem CID43730940
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC NameN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1H-indazol-7-amine
SMILESCOc1ncnc(OC)c1CNc1cccc2cn[nH]c12
InChIInChI=1S/C14H15N5O2/c1-20-13-10(14(21-2)17-8-16-13)7-15-11-5-3-4-9-6-18-19-12(9)11/h3-6,8,15H,7H2,1-2H3,(H,18,19)
InChIKeyDNZGESMWLMXUMC-UHFFFAOYSA-N
XLogP1.98
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2,3-dimethylaniline
CID 43552231
N-benzyl-1H-indazol-7-amine
CID 43730923
N-[(3-chloro-4-methoxyphenyl)methyl]-1H-indazol-7-amine
CID 65021798
N-(1,3-thiazol-2-ylmethyl)-1H-indazol-7-amine
CID 63657431
N-(2-methylpropyl)-1H-indazol-7-amine
CID 43730878
N-[(5-chlorothiophen-2-yl)methyl]-1H-indazol-7-amine
CID 43730787
N-[(2-bromophenyl)methyl]-1H-indazol-7-amine
CID 43730933
N-[(1-ethylpyrrol-2-yl)methyl]-1H-indazol-7-amine
CID 66411940
N-(2-ethylbutyl)-1H-indazol-7-amine
CID 43730884
N-(1H-indazol-7-ylmethyl)-1-(2-methoxy-3-pyridinyl)methanamine
CID 71974601
N-[(3-chloro-2-fluorophenyl)methyl]-1H-indazol-7-amine
CID 114487412
N-(thiadiazol-4-ylmethyl)-1H-indazol-7-amine
CID 43731041

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1H-indazol-7-amine?
The IUPAC name of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1H-indazol-7-amine (CID 43730940) is N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1H-indazol-7-amine.
What is the SMILES notation for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1H-indazol-7-amine?
The canonical SMILES for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1H-indazol-7-amine is COc1ncnc(OC)c1CNc1cccc2cn[nH]c12.
What is the InChIKey of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1H-indazol-7-amine?
The InChIKey is DNZGESMWLMXUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-20-13-10(14(21-2)17-8-16-13)7-15-11-5-3-4-9-6-18-19-12(9)11/h3-6,8,15H,7H2,1-2H3,(H,18,19).
What are the key properties of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1H-indazol-7-amine?
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1H-indazol-7-amine has a molecular weight of 285.31 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1H-indazol-7-amine is sourced from PubChem (CID 43730940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).