5-bromo-2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine

C11H17BrN4O — CID 82745879

IUPAC5-bromo-2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine
SMILESCNc1ncc(Br)c(N(C)C2CCOC2C)n1
InChIInChI=1S/C11H17BrN4O/c1-7-9(4-5-17-7)16(3)10-8(12)6-14-11(13-2)15-10/h6-7,9H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyZTHLDHDOHJRINV-UHFFFAOYSA-N
MW301.19 g/mol
LogP1.89
Rot. Bonds3

About 5-bromo-2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine

5-bromo-2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine (PubChem CID 82745879) has the molecular formula C11H17BrN4O and a molecular weight of 301.19 g/mol. Its IUPAC name is 5-bromo-2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine
PubChem CID82745879
Molecular FormulaC11H17BrN4O
Molecular Weight301.19 g/mol
Exact Mass300.06
IUPAC Name5-bromo-2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine
SMILESCNc1ncc(Br)c(N(C)C2CCOC2C)n1
InChIInChI=1S/C11H17BrN4O/c1-7-9(4-5-17-7)16(3)10-8(12)6-14-11(13-2)15-10/h6-7,9H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyZTHLDHDOHJRINV-UHFFFAOYSA-N
XLogP1.89
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,4-N,5-trimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine
CID 82744646
2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329415
4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine
CID 82745889
5-bromo-2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 80838183
4-N,6-N-dimethyl-4-N-(2-methyloxolan-3-yl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 82744642
5-bromo-2-N,4-N-dimethyl-4-N-phenylpyrimidine-2,4-diamine
CID 80767185
2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol
CID 102640220
6-imidazol-1-yl-2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine
CID 82751261
5-bromo-2-N,4-N-dimethyl-4-N-propylpyrimidine-2,4-diamine
CID 80776307
N-methyl-5-[1-(methylamino)ethyl]-N-(2-methyloxolan-3-yl)-1,3-thiazol-2-amine
CID 82754018
1-[6-[methyl-(2-methyloxolan-3-yl)amino]-3-pyridinyl]ethanol
CID 82742695
2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-cyclobutylamino]ethanol
CID 102875751

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine (CID 82745879) is 5-bromo-2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine is CNc1ncc(Br)c(N(C)C2CCOC2C)n1.
What is the InChIKey of 5-bromo-2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine?
The InChIKey is ZTHLDHDOHJRINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O/c1-7-9(4-5-17-7)16(3)10-8(12)6-14-11(13-2)15-10/h6-7,9H,4-5H2,1-3H3,(H,13,14,15).
What are the key properties of 5-bromo-2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine?
5-bromo-2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine has a molecular weight of 301.19 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 82745879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).