4,5-diamino-1,3-dimethyl-6-methyliminopyrimidin-2-one

C7H13N5O — CID 90841358

IUPAC4,5-diamino-1,3-dimethyl-6-methyliminopyrimidin-2-one
SMILESC/N=c1/c(N)c(N)n(C)c(=O)n1C
InChIInChI=1S/C7H13N5O/c1-10-6-4(8)5(9)11(2)7(13)12(6)3/h8-9H2,1-3H3/b10-6-
InChIKeyAMNKFVLQFGKADN-POHAHGRESA-N
MW183.21 g/mol
LogP-1.58
Rot. Bonds

About 4,5-diamino-1,3-dimethyl-6-methyliminopyrimidin-2-one

4,5-diamino-1,3-dimethyl-6-methyliminopyrimidin-2-one (PubChem CID 90841358) has the molecular formula C7H13N5O and a molecular weight of 183.21 g/mol. Its IUPAC name is 4,5-diamino-1,3-dimethyl-6-methyliminopyrimidin-2-one.

Molecular Properties

Compound Name4,5-diamino-1,3-dimethyl-6-methyliminopyrimidin-2-one
PubChem CID90841358
Molecular FormulaC7H13N5O
Molecular Weight183.21 g/mol
Exact Mass183.11
IUPAC Name4,5-diamino-1,3-dimethyl-6-methyliminopyrimidin-2-one
SMILESC/N=c1/c(N)c(N)n(C)c(=O)n1C
InChIInChI=1S/C7H13N5O/c1-10-6-4(8)5(9)11(2)7(13)12(6)3/h8-9H2,1-3H3/b10-6-
InChIKeyAMNKFVLQFGKADN-POHAHGRESA-N
XLogP-1.58
TPSA91.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-1.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1,9-dimethyl-2,8-dioxo-2,3,8,9-tetrahydro-1H-purin-6(7H)-iminium chloride
CID 46915369
Caissarone
CID 129212
6-Amino-9-methyl-1,7-dihydropurine-2,8-dione;hydrochloride
CID 46915512
6-amino-3,9-dimethyl-7H-purine-2,8-dione;hydrochloride
CID 46915371
6-Imino-3,9-dimethyl-7,9-dihydro-1h-purine-2,8(3h,6h)-dione
CID 46915372
6-Amino-9-methyl-1,7-dihydropurine-2,8-dione
CID 46915513
6-Imino-1,9-dimethyl-8-oxopurine
CID 180731
1,9-Dimethyl-8-oxoisoguanine
CID 46915370
6-Amino-1,7-dimethylpurin-2-one
CID 13399752
4,5-diamino-6-methylamino-1H-pyrimidin-2-one
CID 45122060
6-(Dimethylamino)-9-methyl-2,7-dihydropurin-2-id-8-one;yttrium
CID 57642824
6-(dimethylamino)-7,9-dimethyl-2H-purin-2-id-8-one;yttrium
CID 57642870

Frequently Asked Questions

What is the IUPAC name of 4,5-diamino-1,3-dimethyl-6-methyliminopyrimidin-2-one?
The IUPAC name of 4,5-diamino-1,3-dimethyl-6-methyliminopyrimidin-2-one (CID 90841358) is 4,5-diamino-1,3-dimethyl-6-methyliminopyrimidin-2-one.
What is the SMILES notation for 4,5-diamino-1,3-dimethyl-6-methyliminopyrimidin-2-one?
The canonical SMILES for 4,5-diamino-1,3-dimethyl-6-methyliminopyrimidin-2-one is C/N=c1/c(N)c(N)n(C)c(=O)n1C.
What is the InChIKey of 4,5-diamino-1,3-dimethyl-6-methyliminopyrimidin-2-one?
The InChIKey is AMNKFVLQFGKADN-POHAHGRESA-N. The full InChI is InChI=1S/C7H13N5O/c1-10-6-4(8)5(9)11(2)7(13)12(6)3/h8-9H2,1-3H3/b10-6-.
What are the key properties of 4,5-diamino-1,3-dimethyl-6-methyliminopyrimidin-2-one?
4,5-diamino-1,3-dimethyl-6-methyliminopyrimidin-2-one has a molecular weight of 183.21 g/mol, XLogP of -1.58, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diamino-1,3-dimethyl-6-methyliminopyrimidin-2-one is sourced from PubChem (CID 90841358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).