2-amino-3-[4-(4-amino-2-oxopyrimidin-1-yl)phenyl]-N-(azetidin-3-yl)propanamide

C16H20N6O2 — CID 154652495

IUPAC2-amino-3-[4-(4-amino-2-oxopyrimidin-1-yl)phenyl]-N-(azetidin-3-yl)propanamide
SMILESNc1ccn(-c2ccc(CC(N)C(=O)NC3CNC3)cc2)c(=O)n1
InChIInChI=1S/C16H20N6O2/c17-13(15(23)20-11-8-19-9-11)7-10-1-3-12(4-2-10)22-6-5-14(18)21-16(22)24/h1-6,11,13,19H,7-9,17H2,(H,20,23)(H2,18,21,24)
InChIKeyHHMZRIKMFRMTQT-UHFFFAOYSA-N
MW328.38 g/mol
LogP-1.23
Rot. Bonds5

About 2-amino-3-[4-(4-amino-2-oxopyrimidin-1-yl)phenyl]-N-(azetidin-3-yl)propanamide

2-amino-3-[4-(4-amino-2-oxopyrimidin-1-yl)phenyl]-N-(azetidin-3-yl)propanamide (PubChem CID 154652495) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 2-amino-3-[4-(4-amino-2-oxopyrimidin-1-yl)phenyl]-N-(azetidin-3-yl)propanamide.

Molecular Properties

Compound Name2-amino-3-[4-(4-amino-2-oxopyrimidin-1-yl)phenyl]-N-(azetidin-3-yl)propanamide
PubChem CID154652495
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name2-amino-3-[4-(4-amino-2-oxopyrimidin-1-yl)phenyl]-N-(azetidin-3-yl)propanamide
SMILESNc1ccn(-c2ccc(CC(N)C(=O)NC3CNC3)cc2)c(=O)n1
InChIInChI=1S/C16H20N6O2/c17-13(15(23)20-11-8-19-9-11)7-10-1-3-12(4-2-10)22-6-5-14(18)21-16(22)24/h1-6,11,13,19H,7-9,17H2,(H,20,23)(H2,18,21,24)
InChIKeyHHMZRIKMFRMTQT-UHFFFAOYSA-N
XLogP-1.23
TPSA128.06 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 5-1.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

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-(azetidin-3-ylamino)propan-2-yloxy]phenyl]pyrimidin-2-one
CID 154652348
methyl (2R)-3-[4-(4-amino-2-oxopyrimidin-1-yl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 154651983
tert-butyl N-[1-[[4-(4-amino-2-oxopyrimidin-1-yl)phenyl]methyl]piperidin-4-yl]carbamate
CID 154652494
4-amino-1-[4-[[(4-amino-1-bicyclo[2.2.2]octanyl)amino]methyl]phenyl]pyrimidin-2-one
CID 155006351
4-amino-1-[4-[[(1S,5R)-6-(1-aminoethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]pyrimidin-2-one
CID 155006255
N-[1-[4-[(2S)-2-amino-3-(3-aminoazetidin-1-yl)-3-oxopropyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
CID 155008500
4-amino-1-[4-[2-[(1S,5R)-6-(methylaminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]butyl]phenyl]pyrimidin-2-one
CID 154651016
4-amino-1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrimidin-2-one
CID 174553497
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-[[(3R)-3-aminocyclopentyl]-ethylamino]propyl]phenyl]pyrimidin-2-one
CID 168747843
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 2-amino-3-[4-(4-amino-2-oxopyrimidin-1-yl)phenyl]-N-(azetidin-3-yl)propanamide?
The IUPAC name of 2-amino-3-[4-(4-amino-2-oxopyrimidin-1-yl)phenyl]-N-(azetidin-3-yl)propanamide (CID 154652495) is 2-amino-3-[4-(4-amino-2-oxopyrimidin-1-yl)phenyl]-N-(azetidin-3-yl)propanamide.
What is the SMILES notation for 2-amino-3-[4-(4-amino-2-oxopyrimidin-1-yl)phenyl]-N-(azetidin-3-yl)propanamide?
The canonical SMILES for 2-amino-3-[4-(4-amino-2-oxopyrimidin-1-yl)phenyl]-N-(azetidin-3-yl)propanamide is Nc1ccn(-c2ccc(CC(N)C(=O)NC3CNC3)cc2)c(=O)n1.
What is the InChIKey of 2-amino-3-[4-(4-amino-2-oxopyrimidin-1-yl)phenyl]-N-(azetidin-3-yl)propanamide?
The InChIKey is HHMZRIKMFRMTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c17-13(15(23)20-11-8-19-9-11)7-10-1-3-12(4-2-10)22-6-5-14(18)21-16(22)24/h1-6,11,13,19H,7-9,17H2,(H,20,23)(H2,18,21,24).
What are the key properties of 2-amino-3-[4-(4-amino-2-oxopyrimidin-1-yl)phenyl]-N-(azetidin-3-yl)propanamide?
2-amino-3-[4-(4-amino-2-oxopyrimidin-1-yl)phenyl]-N-(azetidin-3-yl)propanamide has a molecular weight of 328.38 g/mol, XLogP of -1.23, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-(4-amino-2-oxopyrimidin-1-yl)phenyl]-N-(azetidin-3-yl)propanamide is sourced from PubChem (CID 154652495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).