5-bromo-2-N,4-N-dimethyl-2-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine

C11H17BrN4O — CID 133498461

IUPAC5-bromo-2-N,4-N-dimethyl-2-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine
SMILESCNc1nc(N(C)C[C@@H]2CCCO2)ncc1Br
InChIInChI=1S/C11H17BrN4O/c1-13-10-9(12)6-14-11(15-10)16(2)7-8-4-3-5-17-8/h6,8H,3-5,7H2,1-2H3,(H,13,14,15)/t8-/m0/s1
InChIKeyJYXWJRQMSHCVIX-QMMMGPOBSA-N
MW301.19 g/mol
LogP1.90
Rot. Bonds4

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

5-bromo-2-N,4-N-dimethyl-2-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine (PubChem CID 133498461) 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-2-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-2-N,4-N-dimethyl-2-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine
PubChem CID133498461
Molecular FormulaC11H17BrN4O
Molecular Weight301.19 g/mol
Exact Mass300.06
IUPAC Name5-bromo-2-N,4-N-dimethyl-2-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine
SMILESCNc1nc(N(C)C[C@@H]2CCCO2)ncc1Br
InChIInChI=1S/C11H17BrN4O/c1-13-10-9(12)6-14-11(15-10)16(2)7-8-4-3-5-17-8/h6,8H,3-5,7H2,1-2H3,(H,13,14,15)/t8-/m0/s1
InChIKeyJYXWJRQMSHCVIX-QMMMGPOBSA-N
XLogP1.90
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-bromo-2-N,4-N-dimethyl-2-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

2-N,4-N,5-trimethyl-2-N,4-N-bis[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine
CID 124859594
5-chloro-2-N,4-N-dimethyl-2-N,4-N-bis[[(2S)-oxan-2-yl]methyl]pyrimidine-2,4-diamine
CID 96526341
4-cyclopentyl-N-methyl-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 56861658
5-ethyl-4-N,6-N-dimethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80796623
5-bromo-N-methyl-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62295126
4-N,6-N-dimethyl-4-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80796274
5-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)pyrazin-2-amine
CID 107379575
N,4-dimethyl-N-(oxan-2-ylmethyl)-5-(propylaminomethyl)pyrimidin-2-amine
CID 83178527
2-[methyl(oxolan-2-ylmethyl)amino]pyrimidine-4-carbothioamide
CID 107546808
[5-[methyl(oxolan-2-ylmethyl)amino]pyrazin-2-yl]methanol
CID 107372756
5-fluoro-2-N,4-N-dimethyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4-diamine
CID 80795547
6-hydrazinyl-N-methyl-N-(oxolan-2-ylmethyl)pyrazin-2-amine
CID 80896092

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N,4-N-dimethyl-2-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-2-N,4-N-dimethyl-2-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine (CID 133498461) is 5-bromo-2-N,4-N-dimethyl-2-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-2-N,4-N-dimethyl-2-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-2-N,4-N-dimethyl-2-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine is CNc1nc(N(C)C[C@@H]2CCCO2)ncc1Br.
What is the InChIKey of 5-bromo-2-N,4-N-dimethyl-2-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine?
The InChIKey is JYXWJRQMSHCVIX-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17BrN4O/c1-13-10-9(12)6-14-11(15-10)16(2)7-8-4-3-5-17-8/h6,8H,3-5,7H2,1-2H3,(H,13,14,15)/t8-/m0/s1.
What are the key properties of 5-bromo-2-N,4-N-dimethyl-2-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine?
5-bromo-2-N,4-N-dimethyl-2-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine has a molecular weight of 301.19 g/mol, XLogP of 1.90, 4 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-2-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 133498461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).