3-[4-(benzylamino)-6-methylpyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide

C22H21N5O — CID 118141412

IUPAC3-[4-(benzylamino)-6-methylpyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide
SMILESCc1cc(NCc2ccccc2)nc(-c2c(C)[nH]c3cccc(C(N)=O)c23)n1
InChIInChI=1S/C22H21N5O/c1-13-11-18(24-12-15-7-4-3-5-8-15)27-22(25-13)19-14(2)26-17-10-6-9-16(20(17)19)21(23)28/h3-11,26H,12H2,1-2H3,(H2,23,28)(H,24,25,27)
InChIKeyOMJIIDKRFIVLHU-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.95
Rot. Bonds5

About 3-[4-(benzylamino)-6-methylpyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide

3-[4-(benzylamino)-6-methylpyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide (PubChem CID 118141412) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 3-[4-(benzylamino)-6-methylpyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide.

Molecular Properties

Compound Name3-[4-(benzylamino)-6-methylpyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide
PubChem CID118141412
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name3-[4-(benzylamino)-6-methylpyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide
SMILESCc1cc(NCc2ccccc2)nc(-c2c(C)[nH]c3cccc(C(N)=O)c23)n1
InChIInChI=1S/C22H21N5O/c1-13-11-18(24-12-15-7-4-3-5-8-15)27-22(25-13)19-14(2)26-17-10-6-9-16(20(17)19)21(23)28/h3-11,26H,12H2,1-2H3,(H2,23,28)(H,24,25,27)
InChIKeyOMJIIDKRFIVLHU-UHFFFAOYSA-N
XLogP3.95
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(benzylamino)-6-methyl-1,2,4-triazin-3-yl]-2-methyl-1H-indole-4-carboxamide
CID 118141247
3-[5-amino-4-(benzylamino)pyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide
CID 118141405
3-[4-(benzylamino)-5-(methoxymethyl)pyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide
CID 118141353
3-[4-(benzylamino)-5-(trifluoromethyl)pyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide
CID 118141379
3-[4-(benzylamino)-5-propan-2-yloxypyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide
CID 118141369
[6-(benzylamino)-2-(7-carbamoyl-2-methyl-1H-indol-3-yl)pyrimidin-4-yl]boronic acid
CID 145205492
3-[5-amino-4-(benzylamino)pyrimidin-2-yl]-2-methylsulfonyl-1H-indole-4-carboxamide
CID 118141339
[6-(benzylamino)-2-(7-carbamoyl-2H-indazol-3-yl)pyrimidin-4-yl]boronic acid
CID 145205512
3-[4-(benzylamino)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-2-yl]-2-methyl-1H-indole-7-carboxamide
CID 118239647
3-[4-(benzylamino)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]-2-methyl-1H-indole-7-carboxamide
CID 118239478
N-benzyl-2-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 117079007
ethyl 4-[[4-(benzylamino)-6-methylpyrimidin-2-yl]amino]benzoate
CID 112915600

Frequently Asked Questions

What is the IUPAC name of 3-[4-(benzylamino)-6-methylpyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide?
The IUPAC name of 3-[4-(benzylamino)-6-methylpyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide (CID 118141412) is 3-[4-(benzylamino)-6-methylpyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide.
What is the SMILES notation for 3-[4-(benzylamino)-6-methylpyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide?
The canonical SMILES for 3-[4-(benzylamino)-6-methylpyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide is Cc1cc(NCc2ccccc2)nc(-c2c(C)[nH]c3cccc(C(N)=O)c23)n1.
What is the InChIKey of 3-[4-(benzylamino)-6-methylpyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide?
The InChIKey is OMJIIDKRFIVLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-13-11-18(24-12-15-7-4-3-5-8-15)27-22(25-13)19-14(2)26-17-10-6-9-16(20(17)19)21(23)28/h3-11,26H,12H2,1-2H3,(H2,23,28)(H,24,25,27).
What are the key properties of 3-[4-(benzylamino)-6-methylpyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide?
3-[4-(benzylamino)-6-methylpyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 3.95, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(benzylamino)-6-methylpyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide is sourced from PubChem (CID 118141412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).