6-amino-5-[(Z)-3-amino-2-methylprop-1-enyl]-1H-pyrimidin-2-one

C8H12N4O — CID 70142156

IUPAC6-amino-5-[(Z)-3-amino-2-methylprop-1-enyl]-1H-pyrimidin-2-one
SMILESC/C(=C/c1cnc(=O)[nH]c1N)CN
InChIInChI=1S/C8H12N4O/c1-5(3-9)2-6-4-11-8(13)12-7(6)10/h2,4H,3,9H2,1H3,(H3,10,11,12,13)/b5-2-
InChIKeyLEIVRWFVEXPKMX-DJWKRKHSSA-N
MW180.21 g/mol
LogP-0.29
Rot. Bonds2

About 6-amino-5-[(Z)-3-amino-2-methylprop-1-enyl]-1H-pyrimidin-2-one

6-amino-5-[(Z)-3-amino-2-methylprop-1-enyl]-1H-pyrimidin-2-one (PubChem CID 70142156) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 6-amino-5-[(Z)-3-amino-2-methylprop-1-enyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-amino-5-[(Z)-3-amino-2-methylprop-1-enyl]-1H-pyrimidin-2-one
PubChem CID70142156
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name6-amino-5-[(Z)-3-amino-2-methylprop-1-enyl]-1H-pyrimidin-2-one
SMILESC/C(=C/c1cnc(=O)[nH]c1N)CN
InChIInChI=1S/C8H12N4O/c1-5(3-9)2-6-4-11-8(13)12-7(6)10/h2,4H,3,9H2,1H3,(H3,10,11,12,13)/b5-2-
InChIKeyLEIVRWFVEXPKMX-DJWKRKHSSA-N
XLogP-0.29
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(Z)-3-amino-2-methylprop-1-enyl]-1H-pyrimidin-2-one?
The IUPAC name of 6-amino-5-[(Z)-3-amino-2-methylprop-1-enyl]-1H-pyrimidin-2-one (CID 70142156) is 6-amino-5-[(Z)-3-amino-2-methylprop-1-enyl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-amino-5-[(Z)-3-amino-2-methylprop-1-enyl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-amino-5-[(Z)-3-amino-2-methylprop-1-enyl]-1H-pyrimidin-2-one is C/C(=C/c1cnc(=O)[nH]c1N)CN.
What is the InChIKey of 6-amino-5-[(Z)-3-amino-2-methylprop-1-enyl]-1H-pyrimidin-2-one?
The InChIKey is LEIVRWFVEXPKMX-DJWKRKHSSA-N. The full InChI is InChI=1S/C8H12N4O/c1-5(3-9)2-6-4-11-8(13)12-7(6)10/h2,4H,3,9H2,1H3,(H3,10,11,12,13)/b5-2-.
What are the key properties of 6-amino-5-[(Z)-3-amino-2-methylprop-1-enyl]-1H-pyrimidin-2-one?
6-amino-5-[(Z)-3-amino-2-methylprop-1-enyl]-1H-pyrimidin-2-one has a molecular weight of 180.21 g/mol, XLogP of -0.29, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(Z)-3-amino-2-methylprop-1-enyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 70142156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).