4-amino-1-[[4-[(4-methyltriazol-1-yl)methyl]phenyl]methyl]pyrimidin-2-one

C15H16N6O — CID 164667818

IUPAC4-amino-1-[[4-[(4-methyltriazol-1-yl)methyl]phenyl]methyl]pyrimidin-2-one
SMILESCc1cn(Cc2ccc(Cn3ccc(N)nc3=O)cc2)nn1
InChIInChI=1S/C15H16N6O/c1-11-8-21(19-18-11)10-13-4-2-12(3-5-13)9-20-7-6-14(16)17-15(20)22/h2-8H,9-10H2,1H3,(H2,16,17,22)
InChIKeyYGKKGHCTDPXEJE-UHFFFAOYSA-N
MW296.33 g/mol
LogP0.82
Rot. Bonds4

About 4-amino-1-[[4-[(4-methyltriazol-1-yl)methyl]phenyl]methyl]pyrimidin-2-one

4-amino-1-[[4-[(4-methyltriazol-1-yl)methyl]phenyl]methyl]pyrimidin-2-one (PubChem CID 164667818) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-amino-1-[[4-[(4-methyltriazol-1-yl)methyl]phenyl]methyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[[4-[(4-methyltriazol-1-yl)methyl]phenyl]methyl]pyrimidin-2-one
PubChem CID164667818
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name4-amino-1-[[4-[(4-methyltriazol-1-yl)methyl]phenyl]methyl]pyrimidin-2-one
SMILESCc1cn(Cc2ccc(Cn3ccc(N)nc3=O)cc2)nn1
InChIInChI=1S/C15H16N6O/c1-11-8-21(19-18-11)10-13-4-2-12(3-5-13)9-20-7-6-14(16)17-15(20)22/h2-8H,9-10H2,1H3,(H2,16,17,22)
InChIKeyYGKKGHCTDPXEJE-UHFFFAOYSA-N
XLogP0.82
TPSA91.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(4-isocyanophenyl)methyl]-4-methyltriazole
CID 156681057
1-[[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]methyl]-4-methyltriazole
CID 90750527
4-amino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-2-one
CID 125180340
1-ethyl-4-methyltriazole
CID 58612101
4-methyl-1-(1H-pyrazol-4-ylmethyl)pyrimidin-2-one
CID 130569593
4-amino-1-methylpyrimidin-2-one;hydrobromide
CID 91983314
4-amino-1-(3-aminoprop-2-enyl)pyrimidin-2-one
CID 69107893
[1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 62054469
1-(2-aminoethyl)-4-methylpyrimidin-2-one
CID 82651652
4-amino-1-(5-amino-3,4,6-trihydroxy-2-methylhexyl)pyrimidin-2-one
CID 123396740
[3-(4-amino-2-oxopyrimidin-1-yl)-2-hydroxypropyl]-trimethylazanium
CID 10515656
4-amino-1-methylpyrimidin-2-one;propane
CID 143278150

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[[4-[(4-methyltriazol-1-yl)methyl]phenyl]methyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[[4-[(4-methyltriazol-1-yl)methyl]phenyl]methyl]pyrimidin-2-one (CID 164667818) is 4-amino-1-[[4-[(4-methyltriazol-1-yl)methyl]phenyl]methyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[[4-[(4-methyltriazol-1-yl)methyl]phenyl]methyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[[4-[(4-methyltriazol-1-yl)methyl]phenyl]methyl]pyrimidin-2-one is Cc1cn(Cc2ccc(Cn3ccc(N)nc3=O)cc2)nn1.
What is the InChIKey of 4-amino-1-[[4-[(4-methyltriazol-1-yl)methyl]phenyl]methyl]pyrimidin-2-one?
The InChIKey is YGKKGHCTDPXEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c1-11-8-21(19-18-11)10-13-4-2-12(3-5-13)9-20-7-6-14(16)17-15(20)22/h2-8H,9-10H2,1H3,(H2,16,17,22).
What are the key properties of 4-amino-1-[[4-[(4-methyltriazol-1-yl)methyl]phenyl]methyl]pyrimidin-2-one?
4-amino-1-[[4-[(4-methyltriazol-1-yl)methyl]phenyl]methyl]pyrimidin-2-one has a molecular weight of 296.33 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[[4-[(4-methyltriazol-1-yl)methyl]phenyl]methyl]pyrimidin-2-one is sourced from PubChem (CID 164667818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).