N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine

C20H26FN5O — CID 133297696

IUPACN-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
SMILESFc1cc(CNc2cc(N3CCCCC3)ncn2)ccc1N1CCOCC1
InChIInChI=1S/C20H26FN5O/c21-17-12-16(4-5-18(17)25-8-10-27-11-9-25)14-22-19-13-20(24-15-23-19)26-6-2-1-3-7-26/h4-5,12-13,15H,1-3,6-11,14H2,(H,22,23,24)
InChIKeyHYUQWZXMNIBKJP-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.05
Rot. Bonds5

About N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine

N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine (PubChem CID 133297696) has the molecular formula C20H26FN5O and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
PubChem CID133297696
Molecular FormulaC20H26FN5O
Molecular Weight371.46 g/mol
Exact Mass371.21
IUPAC NameN-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
SMILESFc1cc(CNc2cc(N3CCCCC3)ncn2)ccc1N1CCOCC1
InChIInChI=1S/C20H26FN5O/c21-17-12-16(4-5-18(17)25-8-10-27-11-9-25)14-22-19-13-20(24-15-23-19)26-6-2-1-3-7-26/h4-5,12-13,15H,1-3,6-11,14H2,(H,22,23,24)
InChIKeyHYUQWZXMNIBKJP-UHFFFAOYSA-N
XLogP3.05
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133298868
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133297513
N-[(4-chlorophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 112856024
6-morpholin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidin-4-amine
CID 122282584
6-(azepan-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine
CID 112864664
2-chloro-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]pyridin-4-amine
CID 133359820
N-[(3-bromophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133304157
6-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 122282471
N-[(4-fluorophenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112859720
[5-chloro-6-[(3-fluoro-4-morpholin-4-ylphenyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271107
6-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-4-amine
CID 112857039
2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethanol
CID 24880632

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine (CID 133297696) is N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine is Fc1cc(CNc2cc(N3CCCCC3)ncn2)ccc1N1CCOCC1.
What is the InChIKey of N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is HYUQWZXMNIBKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O/c21-17-12-16(4-5-18(17)25-8-10-27-11-9-25)14-22-19-13-20(24-15-23-19)26-6-2-1-3-7-26/h4-5,12-13,15H,1-3,6-11,14H2,(H,22,23,24).
What are the key properties of N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine?
N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 371.46 g/mol, XLogP of 3.05, 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-morpholin-4-ylphenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 133297696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).