4-(4-fluorophenoxy)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine

C21H22FN5O — CID 56574207

IUPAC4-(4-fluorophenoxy)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine
SMILESFc1ccc(Oc2ccnc(NCc3cccnc3N3CCCCC3)n2)cc1
InChIInChI=1S/C21H22FN5O/c22-17-6-8-18(9-7-17)28-19-10-12-24-21(26-19)25-15-16-5-4-11-23-20(16)27-13-2-1-3-14-27/h4-12H,1-3,13-15H2,(H,24,25,26)
InChIKeySJESXFHOEOSQPY-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.41
Rot. Bonds6

About 4-(4-fluorophenoxy)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine

4-(4-fluorophenoxy)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine (PubChem CID 56574207) has the molecular formula C21H22FN5O and a molecular weight of 379.44 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine
PubChem CID56574207
Molecular FormulaC21H22FN5O
Molecular Weight379.44 g/mol
Exact Mass379.18
IUPAC Name4-(4-fluorophenoxy)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine
SMILESFc1ccc(Oc2ccnc(NCc3cccnc3N3CCCCC3)n2)cc1
InChIInChI=1S/C21H22FN5O/c22-17-6-8-18(9-7-17)28-19-10-12-24-21(26-19)25-15-16-5-4-11-23-20(16)27-13-2-1-3-14-27/h4-12H,1-3,13-15H2,(H,24,25,26)
InChIKeySJESXFHOEOSQPY-UHFFFAOYSA-N
XLogP4.41
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-fluorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-2-amine
CID 56575580
4-(4-fluorophenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-2-amine
CID 56575278
4-[4-[[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]methyl]phenyl]piperazin-2-one
CID 56575228
4-(4-fluorophenoxy)-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-2-amine
CID 56553691
(3R)-1-[2-[[2-(azocan-1-yl)-3-pyridinyl]methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 95210227
4-(4-fluorophenoxy)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine
CID 56574268
4-phenoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrimidin-2-amine
CID 138050709
4-(4-fluorophenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrimidin-2-amine
CID 56575792
4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine
CID 80869601
N-cyclopentyl-4-(4-fluorophenoxy)pyrimidin-2-amine
CID 56553610
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-4-(4-fluorophenoxy)pyrimidin-2-amine
CID 133411339
8-[[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]methyl]quinoline
CID 56554033

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-(4-fluorophenoxy)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine (CID 56574207) is 4-(4-fluorophenoxy)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(4-fluorophenoxy)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-(4-fluorophenoxy)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine is Fc1ccc(Oc2ccnc(NCc3cccnc3N3CCCCC3)n2)cc1.
What is the InChIKey of 4-(4-fluorophenoxy)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine?
The InChIKey is SJESXFHOEOSQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O/c22-17-6-8-18(9-7-17)28-19-10-12-24-21(26-19)25-15-16-5-4-11-23-20(16)27-13-2-1-3-14-27/h4-12H,1-3,13-15H2,(H,24,25,26).
What are the key properties of 4-(4-fluorophenoxy)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine?
4-(4-fluorophenoxy)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine has a molecular weight of 379.44 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 56574207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).