6-amino-5-[(Z)-2-aminoethenyl]-1-propan-2-ylpyrimidin-4-one;(4E,5E)-5-(aminomethylidene)-4-(1-amino-2-methylpropylidene)-1H-pyrimidin-6-one;molecular hydrogen

C18H30N8O2 — CID 145188186

IUPAC6-amino-5-[(Z)-2-aminoethenyl]-1-propan-2-ylpyrimidin-4-one;(4E,5E)-5-(aminomethylidene)-4-(1-amino-2-methylpropylidene)-1H-pyrimidin-6-one;molecular hydrogen
SMILESCC(C)/C(N)=c1\nc[nH]c(=O)\c1=C\N.CC(C)n1cnc(=O)c(/C=C\N)c1N.[H][H]
InChIInChI=1S/2C9H14N4O.H2/c1-5(2)7(11)8-6(3-10)9(14)13-4-12-8;1-6(2)13-5-12-9(14)7(3-4-10)8(13)11;/h3-5H,10-11H2,1-2H3,(H,12,13,14);3-6H,10-11H2,1-2H3;1H/b6-3+,8-7+;4-3-;
InChIKeyVMJZTLPMIPZEIW-LROYIVNESA-N
MW390.49 g/mol
LogP-1.23
Rot. Bonds3

About 6-amino-5-[(Z)-2-aminoethenyl]-1-propan-2-ylpyrimidin-4-one;(4E,5E)-5-(aminomethylidene)-4-(1-amino-2-methylpropylidene)-1H-pyrimidin-6-one;molecular hydrogen

6-amino-5-[(Z)-2-aminoethenyl]-1-propan-2-ylpyrimidin-4-one;(4E,5E)-5-(aminomethylidene)-4-(1-amino-2-methylpropylidene)-1H-pyrimidin-6-one;molecular hydrogen (PubChem CID 145188186) has the molecular formula C18H30N8O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 6-amino-5-[(Z)-2-aminoethenyl]-1-propan-2-ylpyrimidin-4-one;(4E,5E)-5-(aminomethylidene)-4-(1-amino-2-methylpropylidene)-1H-pyrimidin-6-one;molecular hydrogen.

Molecular Properties

Compound Name6-amino-5-[(Z)-2-aminoethenyl]-1-propan-2-ylpyrimidin-4-one;(4E,5E)-5-(aminomethylidene)-4-(1-amino-2-methylpropylidene)-1H-pyrimidin-6-one;molecular hydrogen
PubChem CID145188186
Molecular FormulaC18H30N8O2
Molecular Weight390.49 g/mol
Exact Mass390.25
IUPAC Name6-amino-5-[(Z)-2-aminoethenyl]-1-propan-2-ylpyrimidin-4-one;(4E,5E)-5-(aminomethylidene)-4-(1-amino-2-methylpropylidene)-1H-pyrimidin-6-one;molecular hydrogen
SMILESCC(C)/C(N)=c1\nc[nH]c(=O)\c1=C\N.CC(C)n1cnc(=O)c(/C=C\N)c1N.[H][H]
InChIInChI=1S/2C9H14N4O.H2/c1-5(2)7(11)8-6(3-10)9(14)13-4-12-8;1-6(2)13-5-12-9(14)7(3-4-10)8(13)11;/h3-5H,10-11H2,1-2H3,(H,12,13,14);3-6H,10-11H2,1-2H3;1H/b6-3+,8-7+;4-3-;
InChIKeyVMJZTLPMIPZEIW-LROYIVNESA-N
XLogP-1.23
TPSA184.72 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 5-1.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 6-amino-5-[(Z)-2-aminoethenyl]-1-propan-2-ylpyrimidin-4-one;(4E,5E)-5-(aminomethylidene)-4-(1-amino-2-methylpropylidene)-1H-pyrimidin-6-one;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(Z)-2-aminoethenyl]-1-propan-2-ylpyrimidin-4-one;(4E,5E)-5-(aminomethylidene)-4-(1-amino-2-methylpropylidene)-1H-pyrimidin-6-one;molecular hydrogen?
The IUPAC name of 6-amino-5-[(Z)-2-aminoethenyl]-1-propan-2-ylpyrimidin-4-one;(4E,5E)-5-(aminomethylidene)-4-(1-amino-2-methylpropylidene)-1H-pyrimidin-6-one;molecular hydrogen (CID 145188186) is 6-amino-5-[(Z)-2-aminoethenyl]-1-propan-2-ylpyrimidin-4-one;(4E,5E)-5-(aminomethylidene)-4-(1-amino-2-methylpropylidene)-1H-pyrimidin-6-one;molecular hydrogen.
What is the SMILES notation for 6-amino-5-[(Z)-2-aminoethenyl]-1-propan-2-ylpyrimidin-4-one;(4E,5E)-5-(aminomethylidene)-4-(1-amino-2-methylpropylidene)-1H-pyrimidin-6-one;molecular hydrogen?
The canonical SMILES for 6-amino-5-[(Z)-2-aminoethenyl]-1-propan-2-ylpyrimidin-4-one;(4E,5E)-5-(aminomethylidene)-4-(1-amino-2-methylpropylidene)-1H-pyrimidin-6-one;molecular hydrogen is CC(C)/C(N)=c1\nc[nH]c(=O)\c1=C\N.CC(C)n1cnc(=O)c(/C=C\N)c1N.[H][H].
What is the InChIKey of 6-amino-5-[(Z)-2-aminoethenyl]-1-propan-2-ylpyrimidin-4-one;(4E,5E)-5-(aminomethylidene)-4-(1-amino-2-methylpropylidene)-1H-pyrimidin-6-one;molecular hydrogen?
The InChIKey is VMJZTLPMIPZEIW-LROYIVNESA-N. The full InChI is InChI=1S/2C9H14N4O.H2/c1-5(2)7(11)8-6(3-10)9(14)13-4-12-8;1-6(2)13-5-12-9(14)7(3-4-10)8(13)11;/h3-5H,10-11H2,1-2H3,(H,12,13,14);3-6H,10-11H2,1-2H3;1H/b6-3+,8-7+;4-3-;.
What are the key properties of 6-amino-5-[(Z)-2-aminoethenyl]-1-propan-2-ylpyrimidin-4-one;(4E,5E)-5-(aminomethylidene)-4-(1-amino-2-methylpropylidene)-1H-pyrimidin-6-one;molecular hydrogen?
6-amino-5-[(Z)-2-aminoethenyl]-1-propan-2-ylpyrimidin-4-one;(4E,5E)-5-(aminomethylidene)-4-(1-amino-2-methylpropylidene)-1H-pyrimidin-6-one;molecular hydrogen has a molecular weight of 390.49 g/mol, XLogP of -1.23, 3 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(Z)-2-aminoethenyl]-1-propan-2-ylpyrimidin-4-one;(4E,5E)-5-(aminomethylidene)-4-(1-amino-2-methylpropylidene)-1H-pyrimidin-6-one;molecular hydrogen is sourced from PubChem (CID 145188186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).