[6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone

C16H17FN4O2 — CID 109343536

IUPAC[6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(NCc2ccc(F)cc2)ncn1)N1CCOCC1
InChIInChI=1S/C16H17FN4O2/c17-13-3-1-12(2-4-13)10-18-15-9-14(19-11-20-15)16(22)21-5-7-23-8-6-21/h1-4,9,11H,5-8,10H2,(H,18,19,20)
InChIKeyYOKHZBHDPYPFRG-UHFFFAOYSA-N
MW316.34 g/mol
LogP1.70
Rot. Bonds4

About [6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone

[6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 109343536) has the molecular formula C16H17FN4O2 and a molecular weight of 316.34 g/mol. Its IUPAC name is [6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone
PubChem CID109343536
Molecular FormulaC16H17FN4O2
Molecular Weight316.34 g/mol
Exact Mass316.13
IUPAC Name[6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(NCc2ccc(F)cc2)ncn1)N1CCOCC1
InChIInChI=1S/C16H17FN4O2/c17-13-3-1-12(2-4-13)10-18-15-9-14(19-11-20-15)16(22)21-5-7-23-8-6-21/h1-4,9,11H,5-8,10H2,(H,18,19,20)
InChIKeyYOKHZBHDPYPFRG-UHFFFAOYSA-N
XLogP1.70
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341642
[6-(4-fluoroanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109343620
azepan-1-yl-[6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]methanone
CID 109348696
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone
CID 109346154
1-[4-[6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109346002
[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341646
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348354
[2-[(4-fluorophenyl)methylamino]quinolin-4-yl]-morpholin-4-ylmethanone
CID 8006719
morpholin-4-yl-[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]methanone
CID 109343521
6-[(4-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109343891
N-(4-chlorophenyl)-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348320
(3-methylpiperidin-1-yl)-[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone
CID 109350170

Frequently Asked Questions

What is the IUPAC name of [6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone (CID 109343536) is [6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone is O=C(c1cc(NCc2ccc(F)cc2)ncn1)N1CCOCC1.
What is the InChIKey of [6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is YOKHZBHDPYPFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2/c17-13-3-1-12(2-4-13)10-18-15-9-14(19-11-20-15)16(22)21-5-7-23-8-6-21/h1-4,9,11H,5-8,10H2,(H,18,19,20).
What are the key properties of [6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone?
[6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 316.34 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 109343536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).