2-amino-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-6-(furan-2-yl)pyrimidine-4-carboxamide

C20H19N5O2 — CID 11473907

IUPAC2-amino-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-6-(furan-2-yl)pyrimidine-4-carboxamide
SMILESCc1[nH]c2ccc(CNC(=O)c3cc(-c4ccco4)nc(N)n3)cc2c1C
InChIInChI=1S/C20H19N5O2/c1-11-12(2)23-15-6-5-13(8-14(11)15)10-22-19(26)17-9-16(24-20(21)25-17)18-4-3-7-27-18/h3-9,23H,10H2,1-2H3,(H,22,26)(H2,21,24,25)
InChIKeyRHCZXCXNLLBNPU-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.35
Rot. Bonds4

About 2-amino-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-6-(furan-2-yl)pyrimidine-4-carboxamide

2-amino-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-6-(furan-2-yl)pyrimidine-4-carboxamide (PubChem CID 11473907) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-amino-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-6-(furan-2-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-6-(furan-2-yl)pyrimidine-4-carboxamide
PubChem CID11473907
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name2-amino-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-6-(furan-2-yl)pyrimidine-4-carboxamide
SMILESCc1[nH]c2ccc(CNC(=O)c3cc(-c4ccco4)nc(N)n3)cc2c1C
InChIInChI=1S/C20H19N5O2/c1-11-12(2)23-15-6-5-13(8-14(11)15)10-22-19(26)17-9-16(24-20(21)25-17)18-4-3-7-27-18/h3-9,23H,10H2,1-2H3,(H,22,26)(H2,21,24,25)
InChIKeyRHCZXCXNLLBNPU-UHFFFAOYSA-N
XLogP3.35
TPSA109.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-(furan-2-yl)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 11737091
[6-[[[2-amino-6-(furan-2-yl)pyrimidine-4-carbonyl]amino]methyl]-2-pyridinyl]methyl N-hexylcarbamate
CID 11385446
2-amino-6-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide
CID 11416733
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide
CID 26390650
2-amino-6-(furan-2-yl)-N-[[(4Z)-5-methylidene-4-prop-2-enylidene-2-pyridinyl]methyl]pyrimidine-4-carboxamide
CID 143092124
2-amino-6-(furan-2-yl)-N-(3-methyl-2-pyridinyl)pyrimidine-4-carboxamide
CID 11197188
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]acetamide
CID 56881175
2-amino-N-benzyl-6-(furan-2-yl)-N-methylpyrimidine-4-carboxamide
CID 59022943
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 25487904
2-amino-6-(furan-2-yl)-N-[(3-propyl-2,4-dihydroimidazol-2-yl)methyl]pyrimidine-4-carboxamide
CID 91064332
4-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2-carboxamide
CID 44520933
N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 56868490

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-6-(furan-2-yl)pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-6-(furan-2-yl)pyrimidine-4-carboxamide (CID 11473907) is 2-amino-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-6-(furan-2-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-6-(furan-2-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-6-(furan-2-yl)pyrimidine-4-carboxamide is Cc1[nH]c2ccc(CNC(=O)c3cc(-c4ccco4)nc(N)n3)cc2c1C.
What is the InChIKey of 2-amino-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-6-(furan-2-yl)pyrimidine-4-carboxamide?
The InChIKey is RHCZXCXNLLBNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-11-12(2)23-15-6-5-13(8-14(11)15)10-22-19(26)17-9-16(24-20(21)25-17)18-4-3-7-27-18/h3-9,23H,10H2,1-2H3,(H,22,26)(H2,21,24,25).
What are the key properties of 2-amino-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-6-(furan-2-yl)pyrimidine-4-carboxamide?
2-amino-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-6-(furan-2-yl)pyrimidine-4-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 3.35, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-6-(furan-2-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 11473907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).