5-fluoro-4-morpholin-4-yl-N-[1-(oxan-4-yl)piperidin-4-yl]pyrimidin-2-amine

C18H28FN5O2 — CID 50965748

IUPAC5-fluoro-4-morpholin-4-yl-N-[1-(oxan-4-yl)piperidin-4-yl]pyrimidin-2-amine
SMILESFc1cnc(NC2CCN(C3CCOCC3)CC2)nc1N1CCOCC1
InChIInChI=1S/C18H28FN5O2/c19-16-13-20-18(22-17(16)24-7-11-26-12-8-24)21-14-1-5-23(6-2-14)15-3-9-25-10-4-15/h13-15H,1-12H2,(H,20,21,22)
InChIKeyDZRAEQJECLWRCT-UHFFFAOYSA-N
MW365.45 g/mol
LogP1.51
Rot. Bonds4

About 5-fluoro-4-morpholin-4-yl-N-[1-(oxan-4-yl)piperidin-4-yl]pyrimidin-2-amine

5-fluoro-4-morpholin-4-yl-N-[1-(oxan-4-yl)piperidin-4-yl]pyrimidin-2-amine (PubChem CID 50965748) has the molecular formula C18H28FN5O2 and a molecular weight of 365.45 g/mol. Its IUPAC name is 5-fluoro-4-morpholin-4-yl-N-[1-(oxan-4-yl)piperidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-morpholin-4-yl-N-[1-(oxan-4-yl)piperidin-4-yl]pyrimidin-2-amine
PubChem CID50965748
Molecular FormulaC18H28FN5O2
Molecular Weight365.45 g/mol
Exact Mass365.22
IUPAC Name5-fluoro-4-morpholin-4-yl-N-[1-(oxan-4-yl)piperidin-4-yl]pyrimidin-2-amine
SMILESFc1cnc(NC2CCN(C3CCOCC3)CC2)nc1N1CCOCC1
InChIInChI=1S/C18H28FN5O2/c19-16-13-20-18(22-17(16)24-7-11-26-12-8-24)21-14-1-5-23(6-2-14)15-3-9-25-10-4-15/h13-15H,1-12H2,(H,20,21,22)
InChIKeyDZRAEQJECLWRCT-UHFFFAOYSA-N
XLogP1.51
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-fluoro-N-[(3S,4R)-4-methoxyoxolan-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
CID 134696082
N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]formamide
CID 143431084
5-fluoro-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
CID 91769836
N-butyl-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 50950437
2-methyl-2-[4-morpholin-4-yl-2-(oxan-4-ylamino)pyrimidin-5-yl]propanoic acid
CID 72896026
N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 134707239
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-pyridin-3-ylethane-1,2-diamine
CID 50962093
4-(5-fluoro-2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 3631524
2,6-dibromo-4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
CID 3456586
4-N-cyclohexyl-5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 11710471
4-N-cyclopropyl-5-nitro-2-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]pyrimidine-2,4-diamine
CID 97010356
5-fluoro-4-morpholin-4-yl-N-(3-pyridin-4-ylpropyl)pyrimidin-2-amine
CID 50951243

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-morpholin-4-yl-N-[1-(oxan-4-yl)piperidin-4-yl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-morpholin-4-yl-N-[1-(oxan-4-yl)piperidin-4-yl]pyrimidin-2-amine (CID 50965748) is 5-fluoro-4-morpholin-4-yl-N-[1-(oxan-4-yl)piperidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-morpholin-4-yl-N-[1-(oxan-4-yl)piperidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-morpholin-4-yl-N-[1-(oxan-4-yl)piperidin-4-yl]pyrimidin-2-amine is Fc1cnc(NC2CCN(C3CCOCC3)CC2)nc1N1CCOCC1.
What is the InChIKey of 5-fluoro-4-morpholin-4-yl-N-[1-(oxan-4-yl)piperidin-4-yl]pyrimidin-2-amine?
The InChIKey is DZRAEQJECLWRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN5O2/c19-16-13-20-18(22-17(16)24-7-11-26-12-8-24)21-14-1-5-23(6-2-14)15-3-9-25-10-4-15/h13-15H,1-12H2,(H,20,21,22).
What are the key properties of 5-fluoro-4-morpholin-4-yl-N-[1-(oxan-4-yl)piperidin-4-yl]pyrimidin-2-amine?
5-fluoro-4-morpholin-4-yl-N-[1-(oxan-4-yl)piperidin-4-yl]pyrimidin-2-amine has a molecular weight of 365.45 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-morpholin-4-yl-N-[1-(oxan-4-yl)piperidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 50965748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).