4-amino-1-[4-[1-(azetidin-3-ylamino)propan-2-yloxy]phenyl]pyrimidin-2-one

C16H21N5O2 — CID 154652348

IUPAC4-amino-1-[4-[1-(azetidin-3-ylamino)propan-2-yloxy]phenyl]pyrimidin-2-one
SMILESCC(CNC1CNC1)Oc1ccc(-n2ccc(N)nc2=O)cc1
InChIInChI=1S/C16H21N5O2/c1-11(8-19-12-9-18-10-12)23-14-4-2-13(3-5-14)21-7-6-15(17)20-16(21)22/h2-7,11-12,18-19H,8-10H2,1H3,(H2,17,20,22)
InChIKeyDIRXDADQIATUAE-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.14
Rot. Bonds6

About 4-amino-1-[4-[1-(azetidin-3-ylamino)propan-2-yloxy]phenyl]pyrimidin-2-one

4-amino-1-[4-[1-(azetidin-3-ylamino)propan-2-yloxy]phenyl]pyrimidin-2-one (PubChem CID 154652348) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 4-amino-1-[4-[1-(azetidin-3-ylamino)propan-2-yloxy]phenyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[4-[1-(azetidin-3-ylamino)propan-2-yloxy]phenyl]pyrimidin-2-one
PubChem CID154652348
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name4-amino-1-[4-[1-(azetidin-3-ylamino)propan-2-yloxy]phenyl]pyrimidin-2-one
SMILESCC(CNC1CNC1)Oc1ccc(-n2ccc(N)nc2=O)cc1
InChIInChI=1S/C16H21N5O2/c1-11(8-19-12-9-18-10-12)23-14-4-2-13(3-5-14)21-7-6-15(17)20-16(21)22/h2-7,11-12,18-19H,8-10H2,1H3,(H2,17,20,22)
InChIKeyDIRXDADQIATUAE-UHFFFAOYSA-N
XLogP0.14
TPSA94.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-3-[4-(4-amino-2-oxopyrimidin-1-yl)phenyl]-N-(azetidin-3-yl)propanamide
CID 154652495
4-amino-1-[4-[[[(5R)-3-azabicyclo[3.1.0]hexan-6-yl]methylamino]methyl]phenyl]pyrimidin-2-one
CID 154650543
4-amino-1-[4-[1-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]phenyl]pyrimidin-2-one
CID 154650525
4-amino-1-[4-[[[(3R,5S)-3,5-diaminocyclohexyl]amino]methyl]phenyl]pyrimidin-2-one
CID 168747797
4-amino-1-[4-(2-aminopropyl)phenyl]pyrimidin-2-one;cyclopentanamine
CID 154652181
4-amino-1-[4-[[(1S,5R)-6-(1-aminoethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]pyrimidin-2-one
CID 155006255
4-amino-1-[4-[1-[(4S)-4-aminoazepan-1-yl]propan-2-yl]phenyl]pyrimidin-2-one
CID 154651795
4-amino-1-[4-[2-[(6-aminospiro[3.3]heptan-2-yl)-methylamino]propyl]phenyl]pyrimidin-2-one
CID 154650425
4-amino-1-[4-[2-[[3-(aminomethyl)-1-bicyclo[1.1.1]pentanyl]amino]propyl]phenyl]pyrimidin-2-one
CID 167383386
4-amino-1-[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)phenyl]pyrimidin-2-one
CID 167383261
4-amino-1-[4-[[(4-amino-1-bicyclo[2.2.2]octanyl)amino]methyl]phenyl]pyrimidin-2-one
CID 155006351
4-amino-1-[4-[[(1R,5S)-6-(methylaminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]pyrimidin-2-one
CID 167383259

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-[1-(azetidin-3-ylamino)propan-2-yloxy]phenyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[4-[1-(azetidin-3-ylamino)propan-2-yloxy]phenyl]pyrimidin-2-one (CID 154652348) is 4-amino-1-[4-[1-(azetidin-3-ylamino)propan-2-yloxy]phenyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[4-[1-(azetidin-3-ylamino)propan-2-yloxy]phenyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[4-[1-(azetidin-3-ylamino)propan-2-yloxy]phenyl]pyrimidin-2-one is CC(CNC1CNC1)Oc1ccc(-n2ccc(N)nc2=O)cc1.
What is the InChIKey of 4-amino-1-[4-[1-(azetidin-3-ylamino)propan-2-yloxy]phenyl]pyrimidin-2-one?
The InChIKey is DIRXDADQIATUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-11(8-19-12-9-18-10-12)23-14-4-2-13(3-5-14)21-7-6-15(17)20-16(21)22/h2-7,11-12,18-19H,8-10H2,1H3,(H2,17,20,22).
What are the key properties of 4-amino-1-[4-[1-(azetidin-3-ylamino)propan-2-yloxy]phenyl]pyrimidin-2-one?
4-amino-1-[4-[1-(azetidin-3-ylamino)propan-2-yloxy]phenyl]pyrimidin-2-one has a molecular weight of 315.38 g/mol, XLogP of 0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-[1-(azetidin-3-ylamino)propan-2-yloxy]phenyl]pyrimidin-2-one is sourced from PubChem (CID 154652348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).