5-bromo-2-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-2,4-diamine

C11H17BrN4O — CID 80854676

IUPAC5-bromo-2-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-2,4-diamine
SMILESCNc1ncc(Br)c(NCC2(C)CCCO2)n1
InChIInChI=1S/C11H17BrN4O/c1-11(4-3-5-17-11)7-15-9-8(12)6-14-10(13-2)16-9/h6H,3-5,7H2,1-2H3,(H2,13,14,15,16)
InChIKeyKNTZULUBWYDRNS-UHFFFAOYSA-N
MW301.19 g/mol
LogP2.26
Rot. Bonds4

About 5-bromo-2-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-2,4-diamine

5-bromo-2-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 80854676) has the molecular formula C11H17BrN4O and a molecular weight of 301.19 g/mol. Its IUPAC name is 5-bromo-2-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-2-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-2,4-diamine
PubChem CID80854676
Molecular FormulaC11H17BrN4O
Molecular Weight301.19 g/mol
Exact Mass300.06
IUPAC Name5-bromo-2-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-2,4-diamine
SMILESCNc1ncc(Br)c(NCC2(C)CCCO2)n1
InChIInChI=1S/C11H17BrN4O/c1-11(4-3-5-17-11)7-15-9-8(12)6-14-10(13-2)16-9/h6H,3-5,7H2,1-2H3,(H2,13,14,15,16)
InChIKeyKNTZULUBWYDRNS-UHFFFAOYSA-N
XLogP2.26
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydrazinyl-5-methyl-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-4-amine
CID 80928984
5-chloro-2-hydrazinyl-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-4-amine
CID 80928877
2-N-ethyl-5-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-2,4-diamine
CID 80854891
[1-[[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol
CID 103968689
2-N-methyl-6-N-[(2-methyloxolan-2-yl)methyl]-7H-purine-2,6-diamine
CID 114785663
2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80766138
5-bromo-N-[(2-methyloxolan-2-yl)methyl]isoquinolin-1-amine
CID 103888936
3-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80771885
6-bromo-2-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-2,4-diamine
CID 116796139
5-bromo-4-N-(3-ethylpentan-3-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80840430
5-bromo-4-N-decyl-2-N-methylpyrimidine-2,4-diamine
CID 80854822
5-bromo-2-N-methyl-4-N-(2-piperidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 80819201

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-2-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-2,4-diamine (CID 80854676) is 5-bromo-2-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-2-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-2-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-2,4-diamine is CNc1ncc(Br)c(NCC2(C)CCCO2)n1.
What is the InChIKey of 5-bromo-2-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is KNTZULUBWYDRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O/c1-11(4-3-5-17-11)7-15-9-8(12)6-14-10(13-2)16-9/h6H,3-5,7H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 5-bromo-2-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-2,4-diamine?
5-bromo-2-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 301.19 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80854676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).