N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine

C21H24FN5 — CID 133411435

IUPACN-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine
SMILESCCc1cc(NCc2ccc(CN(C)C)c(F)c2)nc(-c2ccncc2)n1
InChIInChI=1S/C21H24FN5/c1-4-18-12-20(26-21(25-18)16-7-9-23-10-8-16)24-13-15-5-6-17(14-27(2)3)19(22)11-15/h5-12H,4,13-14H2,1-3H3,(H,24,25,26)
InChIKeyCZOAZEXDZGPTRQ-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.91
Rot. Bonds7

About N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine

N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine (PubChem CID 133411435) has the molecular formula C21H24FN5 and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine
PubChem CID133411435
Molecular FormulaC21H24FN5
Molecular Weight365.46 g/mol
Exact Mass365.20
IUPAC NameN-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine
SMILESCCc1cc(NCc2ccc(CN(C)C)c(F)c2)nc(-c2ccncc2)n1
InChIInChI=1S/C21H24FN5/c1-4-18-12-20(26-21(25-18)16-7-9-23-10-8-16)24-13-15-5-6-17(14-27(2)3)19(22)11-15/h5-12H,4,13-14H2,1-3H3,(H,24,25,26)
InChIKeyCZOAZEXDZGPTRQ-UHFFFAOYSA-N
XLogP3.91
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 133314842
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-4,6-dimethylpyrimidin-2-amine
CID 133411326
N-[(4-amino-2-pyridinyl)methyl]-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 166363517
6-ethyl-N-[(3-methyl-2-pyridinyl)methyl]-2-pyridin-4-ylpyrimidin-4-amine
CID 133294768
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 133411320
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133411419
6-ethyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-pyridin-4-ylpyrimidin-4-amine
CID 133326062
N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 133385669
N-(2-tert-butylsulfanylethyl)-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 133294320
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-7-methyl-1,8-naphthyridin-4-amine
CID 166230144
N,N-dimethyl-4-[[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide
CID 133317467
N-[3-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propyl]methanesulfonamide
CID 56804311

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine (CID 133411435) is N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine is CCc1cc(NCc2ccc(CN(C)C)c(F)c2)nc(-c2ccncc2)n1.
What is the InChIKey of N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is CZOAZEXDZGPTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5/c1-4-18-12-20(26-21(25-18)16-7-9-23-10-8-16)24-13-15-5-6-17(14-27(2)3)19(22)11-15/h5-12H,4,13-14H2,1-3H3,(H,24,25,26).
What are the key properties of N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine?
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 365.46 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 133411435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).