N-(5-bromopyrimidin-4-yl)-2,2-dimethylbutane-1,4-diamine

C10H17BrN4 — CID 106142190

IUPACN-(5-bromopyrimidin-4-yl)-2,2-dimethylbutane-1,4-diamine
SMILESCC(C)(CCN)CNc1ncncc1Br
InChIInChI=1S/C10H17BrN4/c1-10(2,3-4-12)6-14-9-8(11)5-13-7-15-9/h5,7H,3-4,6,12H2,1-2H3,(H,13,14,15)
InChIKeyMOJBGWOKNHXQEK-UHFFFAOYSA-N
MW273.18 g/mol
LogP2.03
Rot. Bonds5

About N-(5-bromopyrimidin-4-yl)-2,2-dimethylbutane-1,4-diamine

N-(5-bromopyrimidin-4-yl)-2,2-dimethylbutane-1,4-diamine (PubChem CID 106142190) has the molecular formula C10H17BrN4 and a molecular weight of 273.18 g/mol. Its IUPAC name is N-(5-bromopyrimidin-4-yl)-2,2-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(5-bromopyrimidin-4-yl)-2,2-dimethylbutane-1,4-diamine
PubChem CID106142190
Molecular FormulaC10H17BrN4
Molecular Weight273.18 g/mol
Exact Mass272.06
IUPAC NameN-(5-bromopyrimidin-4-yl)-2,2-dimethylbutane-1,4-diamine
SMILESCC(C)(CCN)CNc1ncncc1Br
InChIInChI=1S/C10H17BrN4/c1-10(2,3-4-12)6-14-9-8(11)5-13-7-15-9/h5,7H,3-4,6,12H2,1-2H3,(H,13,14,15)
InChIKeyMOJBGWOKNHXQEK-UHFFFAOYSA-N
XLogP2.03
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.18
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-bromopyrimidin-4-yl)amino]-2-methylpropane-1,2-diol
CID 66341508
3-N-(5-bromopyrimidin-4-yl)-4,4-dimethylpentane-1,3-diamine
CID 106357805
2-N-(5-bromopyrimidin-4-yl)-2-methylbutane-1,2-diamine
CID 66319839
N-(3-bromo-5-chloro-2-pyridinyl)-2,2-dimethylpentane-1,5-diamine
CID 106142695
5-bromo-N-(3-methylpentan-3-yl)pyrimidin-4-amine
CID 106329876
3-N-(5-bromopyrimidin-4-yl)butane-1,3-diamine
CID 83180764
5-bromo-N-(2,3-dimethylbutyl)pyrimidin-4-amine
CID 66341943
N-(5-bromo-4-methyl-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine
CID 106142320
5-bromo-N-(5,5,5-trifluoropentyl)pyrimidin-4-amine
CID 115486607
2,2-dimethyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)butane-1,4-diamine
CID 106142308
2-[(5-bromopyrimidin-4-yl)amino]ethanesulfonamide
CID 66340107
4-[(4-amino-2,2-dimethylbutyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136857340

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopyrimidin-4-yl)-2,2-dimethylbutane-1,4-diamine?
The IUPAC name of N-(5-bromopyrimidin-4-yl)-2,2-dimethylbutane-1,4-diamine (CID 106142190) is N-(5-bromopyrimidin-4-yl)-2,2-dimethylbutane-1,4-diamine.
What is the SMILES notation for N-(5-bromopyrimidin-4-yl)-2,2-dimethylbutane-1,4-diamine?
The canonical SMILES for N-(5-bromopyrimidin-4-yl)-2,2-dimethylbutane-1,4-diamine is CC(C)(CCN)CNc1ncncc1Br.
What is the InChIKey of N-(5-bromopyrimidin-4-yl)-2,2-dimethylbutane-1,4-diamine?
The InChIKey is MOJBGWOKNHXQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN4/c1-10(2,3-4-12)6-14-9-8(11)5-13-7-15-9/h5,7H,3-4,6,12H2,1-2H3,(H,13,14,15).
What are the key properties of N-(5-bromopyrimidin-4-yl)-2,2-dimethylbutane-1,4-diamine?
N-(5-bromopyrimidin-4-yl)-2,2-dimethylbutane-1,4-diamine has a molecular weight of 273.18 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopyrimidin-4-yl)-2,2-dimethylbutane-1,4-diamine is sourced from PubChem (CID 106142190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).