N-[(5-methoxy-1H-indol-3-yl)-(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine

C18H18N6O — CID 110453536

IUPACN-[(5-methoxy-1H-indol-3-yl)-(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
SMILESCOc1ccc2[nH]cc(C(Nc3ccncn3)c3cnn(C)c3)c2c1
InChIInChI=1S/C18H18N6O/c1-24-10-12(8-22-24)18(23-17-5-6-19-11-21-17)15-9-20-16-4-3-13(25-2)7-14(15)16/h3-11,18,20H,1-2H3,(H,19,21,23)
InChIKeyDMMLXOAQLALEFB-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.90
Rot. Bonds5

About N-[(5-methoxy-1H-indol-3-yl)-(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine

N-[(5-methoxy-1H-indol-3-yl)-(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine (PubChem CID 110453536) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[(5-methoxy-1H-indol-3-yl)-(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(5-methoxy-1H-indol-3-yl)-(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
PubChem CID110453536
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC NameN-[(5-methoxy-1H-indol-3-yl)-(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
SMILESCOc1ccc2[nH]cc(C(Nc3ccncn3)c3cnn(C)c3)c2c1
InChIInChI=1S/C18H18N6O/c1-24-10-12(8-22-24)18(23-17-5-6-19-11-21-17)15-9-20-16-4-3-13(25-2)7-14(15)16/h3-11,18,20H,1-2H3,(H,19,21,23)
InChIKeyDMMLXOAQLALEFB-UHFFFAOYSA-N
XLogP2.90
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1H-indol-3-yl-(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 110453184
3-[(5-methoxy-1H-indol-3-yl)-(pyridin-3-ylamino)methyl]phenol
CID 110453556
N-[[4-(dimethylamino)phenyl]-(1H-indol-3-yl)methyl]pyrimidin-4-amine
CID 110453278
1-(4-methoxyphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 43485945
1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-1-pyridin-3-ylmethanamine
CID 110453531
2-(5-methoxy-1H-indol-3-yl)-2-(pyridin-4-ylmethylamino)acetonitrile
CID 84817162
(2-bromo-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methanol
CID 112749020
N-[(2-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81304751
5-methoxy-3-propan-2-yl-1H-indole;oxalic acid
CID 19389680
2-(5-methoxy-1H-indol-3-yl)-3-pyridin-3-ylpropan-1-amine
CID 83976611
4-[4-[2-(5-methoxy-1H-indol-3-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide
CID 59466008
1-(5-methoxy-1H-indol-3-yl)-2-thiomorpholin-4-ylethanol
CID 3254372

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1H-indol-3-yl)-(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of N-[(5-methoxy-1H-indol-3-yl)-(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine (CID 110453536) is N-[(5-methoxy-1H-indol-3-yl)-(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for N-[(5-methoxy-1H-indol-3-yl)-(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for N-[(5-methoxy-1H-indol-3-yl)-(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine is COc1ccc2[nH]cc(C(Nc3ccncn3)c3cnn(C)c3)c2c1.
What is the InChIKey of N-[(5-methoxy-1H-indol-3-yl)-(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is DMMLXOAQLALEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-24-10-12(8-22-24)18(23-17-5-6-19-11-21-17)15-9-20-16-4-3-13(25-2)7-14(15)16/h3-11,18,20H,1-2H3,(H,19,21,23).
What are the key properties of N-[(5-methoxy-1H-indol-3-yl)-(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine?
N-[(5-methoxy-1H-indol-3-yl)-(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine has a molecular weight of 334.38 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1H-indol-3-yl)-(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 110453536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).