3-[2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea

C11H20N6O — CID 83117234

IUPAC3-[2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
SMILESCc1nc(N)c(C)c(NCCNC(=O)N(C)C)n1
InChIInChI=1S/C11H20N6O/c1-7-9(12)15-8(2)16-10(7)13-5-6-14-11(18)17(3)4/h5-6H2,1-4H3,(H,14,18)(H3,12,13,15,16)
InChIKeyVXXDNXMNENVCEY-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.36
Rot. Bonds4

About 3-[2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea

3-[2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea (PubChem CID 83117234) has the molecular formula C11H20N6O and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-[2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
PubChem CID83117234
Molecular FormulaC11H20N6O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC Name3-[2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
SMILESCc1nc(N)c(C)c(NCCNC(=O)N(C)C)n1
InChIInChI=1S/C11H20N6O/c1-7-9(12)15-8(2)16-10(7)13-5-6-14-11(18)17(3)4/h5-6H2,1-4H3,(H,14,18)(H3,12,13,15,16)
InChIKeyVXXDNXMNENVCEY-UHFFFAOYSA-N
XLogP0.36
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83117399
5-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]pentanamide
CID 106241669
6-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]hexan-1-ol
CID 114009519
2,5-dimethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine
CID 80817023
3-[2-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea
CID 83118046
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]ethanesulfonamide
CID 80787729
3-[2-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83112527
ethyl 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]acetate
CID 80789883
3-[2-[(2-amino-5-chloropyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83118129
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-N-(2-methoxyethyl)acetamide
CID 113405791
4-N-hexyl-2,5-dimethylpyrimidine-4,6-diamine
CID 80836327
4-N-[2-(2-methoxyethoxy)ethyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80813103

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea (CID 83117234) is 3-[2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea is Cc1nc(N)c(C)c(NCCNC(=O)N(C)C)n1.
What is the InChIKey of 3-[2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea?
The InChIKey is VXXDNXMNENVCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O/c1-7-9(12)15-8(2)16-10(7)13-5-6-14-11(18)17(3)4/h5-6H2,1-4H3,(H,14,18)(H3,12,13,15,16).
What are the key properties of 3-[2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea?
3-[2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea has a molecular weight of 252.32 g/mol, XLogP of 0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea is sourced from PubChem (CID 83117234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).