N-[1H-indol-3-yl-(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine

C17H16N6 — CID 110453184

IUPACN-[1H-indol-3-yl-(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
SMILESCn1cc(C(Nc2ccncn2)c2c[nH]c3ccccc23)cn1
InChIInChI=1S/C17H16N6/c1-23-10-12(8-21-23)17(22-16-6-7-18-11-20-16)14-9-19-15-5-3-2-4-13(14)15/h2-11,17,19H,1H3,(H,18,20,22)
InChIKeyDCJYEMBZSQEPCZ-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.89
Rot. Bonds4

About N-[1H-indol-3-yl-(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine

N-[1H-indol-3-yl-(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine (PubChem CID 110453184) has the molecular formula C17H16N6 and a molecular weight of 304.36 g/mol. Its IUPAC name is N-[1H-indol-3-yl-(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1H-indol-3-yl-(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
PubChem CID110453184
Molecular FormulaC17H16N6
Molecular Weight304.36 g/mol
Exact Mass304.14
IUPAC NameN-[1H-indol-3-yl-(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
SMILESCn1cc(C(Nc2ccncn2)c2c[nH]c3ccccc23)cn1
InChIInChI=1S/C17H16N6/c1-23-10-12(8-21-23)17(22-16-6-7-18-11-20-16)14-9-19-15-5-3-2-4-13(14)15/h2-11,17,19H,1H3,(H,18,20,22)
InChIKeyDCJYEMBZSQEPCZ-UHFFFAOYSA-N
XLogP2.89
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-methoxy-1H-indol-3-yl)-(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 110453536
N-[[4-(dimethylamino)phenyl]-(1H-indol-3-yl)methyl]pyrimidin-4-amine
CID 110453278
3-[imidazol-1-yl-(1-methylpyrazol-4-yl)methyl]-1H-indole
CID 110453762
1-(1H-indol-3-yl)-N-methyl-1-pyridazin-4-ylmethanamine
CID 112742650
N-[(2-fluorophenyl)-(1H-indol-3-yl)methyl]pyridin-2-amine
CID 66573206
3-[1H-indol-3-yl(pyridin-4-yl)methyl]-1-methylindole
CID 71444035
3-(1-methylpyrazol-4-yl)-1H-indole
CID 118064780
N-methyl-1-(1-methylpyrazol-4-yl)-1-naphthalen-1-ylmethanamine
CID 43485969
N-[(1-methylpyrazol-4-yl)-quinolin-4-ylmethyl]ethanamine
CID 105104643
1-(1H-indol-3-yl)-N-methyl-1-phenylmethanamine
CID 11322318
N-[1H-indol-3-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine
CID 110453258
3-propan-2-yl-1H-indole
CID 12534824

Frequently Asked Questions

What is the IUPAC name of N-[1H-indol-3-yl-(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of N-[1H-indol-3-yl-(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine (CID 110453184) is N-[1H-indol-3-yl-(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for N-[1H-indol-3-yl-(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for N-[1H-indol-3-yl-(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine is Cn1cc(C(Nc2ccncn2)c2c[nH]c3ccccc23)cn1.
What is the InChIKey of N-[1H-indol-3-yl-(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is DCJYEMBZSQEPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6/c1-23-10-12(8-21-23)17(22-16-6-7-18-11-20-16)14-9-19-15-5-3-2-4-13(14)15/h2-11,17,19H,1H3,(H,18,20,22).
What are the key properties of N-[1H-indol-3-yl-(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine?
N-[1H-indol-3-yl-(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine has a molecular weight of 304.36 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1H-indol-3-yl-(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 110453184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).