2,4-diamino-5-[[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrimidin-6-one

C13H16N6O — CID 137048022

IUPAC2,4-diamino-5-[[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrimidin-6-one
SMILESCN(C)c1ccc(/C=N/c2c(N)nc(N)[nH]c2=O)cc1
InChIInChI=1S/C13H16N6O/c1-19(2)9-5-3-8(4-6-9)7-16-10-11(14)17-13(15)18-12(10)20/h3-7H,1-2H3,(H5,14,15,17,18,20)/b16-7+
InChIKeyRFUKDMCZJHJFES-FRKPEAEDSA-N
MW272.31 g/mol
LogP0.75
Rot. Bonds3

About 2,4-diamino-5-[[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrimidin-6-one

2,4-diamino-5-[[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrimidin-6-one (PubChem CID 137048022) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 2,4-diamino-5-[[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-diamino-5-[[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrimidin-6-one
PubChem CID137048022
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name2,4-diamino-5-[[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrimidin-6-one
SMILESCN(C)c1ccc(/C=N/c2c(N)nc(N)[nH]c2=O)cc1
InChIInChI=1S/C13H16N6O/c1-19(2)9-5-3-8(4-6-9)7-16-10-11(14)17-13(15)18-12(10)20/h3-7H,1-2H3,(H5,14,15,17,18,20)/b16-7+
InChIKeyRFUKDMCZJHJFES-FRKPEAEDSA-N
XLogP0.75
TPSA113.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,4-diamino-5-(ethylideneamino)-1H-pyrimidin-6-one
CID 154521709
2,4-diamino-5-(thiophen-2-ylmethylideneamino)-1H-pyrimidin-6-one
CID 135411176
4-[[8-[[4-(dimethylamino)phenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-N,N-dimethylaniline
CID 172965274
N,N-dimethyl-4-[(2,3,5,6-tetrafluoro-4-iodophenyl)iminomethyl]aniline
CID 139203663
CID 102273448
CID 102273448
4-[(4,5-dimethyl-1,3-thiazol-2-yl)iminomethyl]-N,N-dimethylaniline
CID 3299411
4-[(4-methoxyphenyl)methylideneamino]-N,N-dimethylaniline
CID 3748752
2-amino-9-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-[(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-1H-purin-6-one
CID 135774207
3-[2-[4-(dimethylamino)phenyl]ethenyl]-1H-quinoxalin-2-one
CID 91083494
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-2-carboxamide
CID 14983883
(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-6-methylidenepiperazine-2,5-dione
CID 166633207
4-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-sulfanylidene-2H-1,2,4-triazin-5-one
CID 110336968

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-5-[[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrimidin-6-one?
The IUPAC name of 2,4-diamino-5-[[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrimidin-6-one (CID 137048022) is 2,4-diamino-5-[[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-diamino-5-[[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-diamino-5-[[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrimidin-6-one is CN(C)c1ccc(/C=N/c2c(N)nc(N)[nH]c2=O)cc1.
What is the InChIKey of 2,4-diamino-5-[[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrimidin-6-one?
The InChIKey is RFUKDMCZJHJFES-FRKPEAEDSA-N. The full InChI is InChI=1S/C13H16N6O/c1-19(2)9-5-3-8(4-6-9)7-16-10-11(14)17-13(15)18-12(10)20/h3-7H,1-2H3,(H5,14,15,17,18,20)/b16-7+.
What are the key properties of 2,4-diamino-5-[[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrimidin-6-one?
2,4-diamino-5-[[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrimidin-6-one has a molecular weight of 272.31 g/mol, XLogP of 0.75, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-5-[[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 137048022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).