N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine

C20H23FN6 — CID 133298860

IUPACN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCC1CCCN(c2cc(NCc3ccc(-n4ccnc4)c(F)c3)ncn2)C1
InChIInChI=1S/C20H23FN6/c1-15-3-2-7-26(12-15)20-10-19(24-13-25-20)23-11-16-4-5-18(17(21)9-16)27-8-6-22-14-27/h4-6,8-10,13-15H,2-3,7,11-12H2,1H3,(H,23,24,25)
InChIKeyMNOHAHDOEVQCHL-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.65
Rot. Bonds5

About N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine

N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 133298860) has the molecular formula C20H23FN6 and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID133298860
Molecular FormulaC20H23FN6
Molecular Weight366.44 g/mol
Exact Mass366.20
IUPAC NameN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCC1CCCN(c2cc(NCc3ccc(-n4ccnc4)c(F)c3)ncn2)C1
InChIInChI=1S/C20H23FN6/c1-15-3-2-7-26(12-15)20-10-19(24-13-25-20)23-11-16-4-5-18(17(21)9-16)27-8-6-22-14-27/h4-6,8-10,13-15H,2-3,7,11-12H2,1H3,(H,23,24,25)
InChIKeyMNOHAHDOEVQCHL-UHFFFAOYSA-N
XLogP3.65
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 133297091
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 86898842
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 133309531
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133298868
N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 133300410
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrimidin-2-amine
CID 47406236
N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133297696
N-butyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112855144
N-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112863983
N-(2-methoxyethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856719
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-phenylaniline
CID 166247503
4-[(6-ethoxypyrimidin-4-yl)amino]-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]piperidine-1-carboxamide
CID 139005476

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine (CID 133298860) is N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine is CC1CCCN(c2cc(NCc3ccc(-n4ccnc4)c(F)c3)ncn2)C1.
What is the InChIKey of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is MNOHAHDOEVQCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6/c1-15-3-2-7-26(12-15)20-10-19(24-13-25-20)23-11-16-4-5-18(17(21)9-16)27-8-6-22-14-27/h4-6,8-10,13-15H,2-3,7,11-12H2,1H3,(H,23,24,25).
What are the key properties of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 366.44 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 133298860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).