1,2,3-trimethyl-1-[(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)methyl]guanidine

C10H17N5O2 — CID 20668484

IUPAC1,2,3-trimethyl-1-[(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)methyl]guanidine
SMILESC/N=C(\NC)N(C)Cc1[nH]c(=O)[nH]c(=O)c1C
InChIInChI=1S/C10H17N5O2/c1-6-7(13-10(17)14-8(6)16)5-15(4)9(11-2)12-3/h5H2,1-4H3,(H,11,12)(H2,13,14,16,17)
InChIKeyBEDBZNOYJCTVAX-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.99
Rot. Bonds2

About 1,2,3-trimethyl-1-[(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)methyl]guanidine

1,2,3-trimethyl-1-[(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)methyl]guanidine (PubChem CID 20668484) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 1,2,3-trimethyl-1-[(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)methyl]guanidine.

Molecular Properties

Compound Name1,2,3-trimethyl-1-[(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)methyl]guanidine
PubChem CID20668484
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name1,2,3-trimethyl-1-[(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)methyl]guanidine
SMILESC/N=C(\NC)N(C)Cc1[nH]c(=O)[nH]c(=O)c1C
InChIInChI=1S/C10H17N5O2/c1-6-7(13-10(17)14-8(6)16)5-15(4)9(11-2)12-3/h5H2,1-4H3,(H,11,12)(H2,13,14,16,17)
InChIKeyBEDBZNOYJCTVAX-UHFFFAOYSA-N
XLogP-0.99
TPSA93.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(Ethylamino)-5,6-dimethyl-4(3H)-pyrimidinone
CID 135581387
4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-N,N-diethylpiperazine-1-carboxamide
CID 135515951
3-Ethyl-5,6-dimethyl-2-(propan-2-ylamino)pyrimidin-4-one
CID 178300438
2-(Ethylamino)-3,5,6-trimethylpyrimidin-4-one
CID 18334340
3-Ethyl-5,6-dimethyl-2-(methylamino)pyrimidin-4-one
CID 18334354
1-cyano-2-methyl-3-[(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)methyl]guanidine
CID 20668491
6-[(2-aminoethylamino)methyl]-5-methyl-1H-pyrimidine-2,4-dione
CID 20668498
6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-5-methyl-1H-pyrimidine-2,4-dione
CID 20668499
6-(4,5-dihydroimidazol-1-ylmethyl)-5-methyl-1H-pyrimidine-2,4-dione
CID 20668500
N-methyl-N-[(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)methyl]ethanimidamide
CID 20668506
1-[(5-cyano-2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-methylguanidine;hydrochloride
CID 67122724
1-[(5-cyano-2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-methylguanidine
CID 67122725

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-1-[(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)methyl]guanidine?
The IUPAC name of 1,2,3-trimethyl-1-[(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)methyl]guanidine (CID 20668484) is 1,2,3-trimethyl-1-[(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)methyl]guanidine.
What is the SMILES notation for 1,2,3-trimethyl-1-[(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)methyl]guanidine?
The canonical SMILES for 1,2,3-trimethyl-1-[(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)methyl]guanidine is C/N=C(\NC)N(C)Cc1[nH]c(=O)[nH]c(=O)c1C.
What is the InChIKey of 1,2,3-trimethyl-1-[(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)methyl]guanidine?
The InChIKey is BEDBZNOYJCTVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-6-7(13-10(17)14-8(6)16)5-15(4)9(11-2)12-3/h5H2,1-4H3,(H,11,12)(H2,13,14,16,17).
What are the key properties of 1,2,3-trimethyl-1-[(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)methyl]guanidine?
1,2,3-trimethyl-1-[(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)methyl]guanidine has a molecular weight of 239.28 g/mol, XLogP of -0.99, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-1-[(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)methyl]guanidine is sourced from PubChem (CID 20668484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).