4-N-(3,4-difluorophenyl)-6-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-4,6-diamine

C21H19F2N5 — CID 112874867

IUPAC4-N-(3,4-difluorophenyl)-6-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(NCCc2c[nH]c3ccccc23)cc(Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C21H19F2N5/c1-13-26-20(11-21(27-13)28-15-6-7-17(22)18(23)10-15)24-9-8-14-12-25-19-5-3-2-4-16(14)19/h2-7,10-12,25H,8-9H2,1H3,(H2,24,26,27,28)
InChIKeyVBFNMNJJOBKJPT-UHFFFAOYSA-N
MW379.41 g/mol
LogP4.94
Rot. Bonds6

About 4-N-(3,4-difluorophenyl)-6-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-4,6-diamine

4-N-(3,4-difluorophenyl)-6-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-4,6-diamine (PubChem CID 112874867) has the molecular formula C21H19F2N5 and a molecular weight of 379.41 g/mol. Its IUPAC name is 4-N-(3,4-difluorophenyl)-6-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3,4-difluorophenyl)-6-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-4,6-diamine
PubChem CID112874867
Molecular FormulaC21H19F2N5
Molecular Weight379.41 g/mol
Exact Mass379.16
IUPAC Name4-N-(3,4-difluorophenyl)-6-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(NCCc2c[nH]c3ccccc23)cc(Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C21H19F2N5/c1-13-26-20(11-21(27-13)28-15-6-7-17(22)18(23)10-15)24-9-8-14-12-25-19-5-3-2-4-16(14)19/h2-7,10-12,25H,8-9H2,1H3,(H2,24,26,27,28)
InChIKeyVBFNMNJJOBKJPT-UHFFFAOYSA-N
XLogP4.94
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 54.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-N-(3,4-difluorophenyl)-6-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-4,6-diamine with MolForge

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Related Compounds

2-[[6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194862
4-N-(4-chlorophenyl)-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112862383
4-N-(3-chloro-4-fluorophenyl)-6-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112873963
N-[2-(1H-indol-3-yl)ethyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112870723
4-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112922394
4-N-(3,4-difluorophenyl)-2-N-[2-(1H-indol-3-yl)ethyl]-2-N-methyl-6-piperidin-1-ylpyrimidine-2,4-diamine
CID 10139600
4-N,6-N-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112862352
N-[2-(1H-indol-3-yl)ethyl]-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109372716
4-N-[2-(1H-indol-3-yl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine
CID 73254465
4-N-(3-chloro-4-fluorophenyl)-6-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874149
N-(2,6-dimethylphenyl)-6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109372692
[6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363650

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-difluorophenyl)-6-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3,4-difluorophenyl)-6-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-4,6-diamine (CID 112874867) is 4-N-(3,4-difluorophenyl)-6-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3,4-difluorophenyl)-6-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3,4-difluorophenyl)-6-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-4,6-diamine is Cc1nc(NCCc2c[nH]c3ccccc23)cc(Nc2ccc(F)c(F)c2)n1.
What is the InChIKey of 4-N-(3,4-difluorophenyl)-6-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-4,6-diamine?
The InChIKey is VBFNMNJJOBKJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N5/c1-13-26-20(11-21(27-13)28-15-6-7-17(22)18(23)10-15)24-9-8-14-12-25-19-5-3-2-4-16(14)19/h2-7,10-12,25H,8-9H2,1H3,(H2,24,26,27,28).
What are the key properties of 4-N-(3,4-difluorophenyl)-6-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-4,6-diamine?
4-N-(3,4-difluorophenyl)-6-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-4,6-diamine has a molecular weight of 379.41 g/mol, XLogP of 4.94, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-difluorophenyl)-6-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112874867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).