3-N-(5-bromopyrimidin-4-yl)-4,4-dimethylpentane-1,3-diamine

C11H19BrN4 — CID 106357805

IUPAC3-N-(5-bromopyrimidin-4-yl)-4,4-dimethylpentane-1,3-diamine
SMILESCC(C)(C)C(CCN)Nc1ncncc1Br
InChIInChI=1S/C11H19BrN4/c1-11(2,3)9(4-5-13)16-10-8(12)6-14-7-15-10/h6-7,9H,4-5,13H2,1-3H3,(H,14,15,16)
InChIKeyOIMZCMQYFSLFNB-UHFFFAOYSA-N
MW287.20 g/mol
LogP2.41
Rot. Bonds4

About 3-N-(5-bromopyrimidin-4-yl)-4,4-dimethylpentane-1,3-diamine

3-N-(5-bromopyrimidin-4-yl)-4,4-dimethylpentane-1,3-diamine (PubChem CID 106357805) has the molecular formula C11H19BrN4 and a molecular weight of 287.20 g/mol. Its IUPAC name is 3-N-(5-bromopyrimidin-4-yl)-4,4-dimethylpentane-1,3-diamine.

Molecular Properties

Compound Name3-N-(5-bromopyrimidin-4-yl)-4,4-dimethylpentane-1,3-diamine
PubChem CID106357805
Molecular FormulaC11H19BrN4
Molecular Weight287.20 g/mol
Exact Mass286.08
IUPAC Name3-N-(5-bromopyrimidin-4-yl)-4,4-dimethylpentane-1,3-diamine
SMILESCC(C)(C)C(CCN)Nc1ncncc1Br
InChIInChI=1S/C11H19BrN4/c1-11(2,3)9(4-5-13)16-10-8(12)6-14-7-15-10/h6-7,9H,4-5,13H2,1-3H3,(H,14,15,16)
InChIKeyOIMZCMQYFSLFNB-UHFFFAOYSA-N
XLogP2.41
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-(5-bromopyrimidin-4-yl)-4,4-dimethylpentane-1,3-diamine?
The IUPAC name of 3-N-(5-bromopyrimidin-4-yl)-4,4-dimethylpentane-1,3-diamine (CID 106357805) is 3-N-(5-bromopyrimidin-4-yl)-4,4-dimethylpentane-1,3-diamine.
What is the SMILES notation for 3-N-(5-bromopyrimidin-4-yl)-4,4-dimethylpentane-1,3-diamine?
The canonical SMILES for 3-N-(5-bromopyrimidin-4-yl)-4,4-dimethylpentane-1,3-diamine is CC(C)(C)C(CCN)Nc1ncncc1Br.
What is the InChIKey of 3-N-(5-bromopyrimidin-4-yl)-4,4-dimethylpentane-1,3-diamine?
The InChIKey is OIMZCMQYFSLFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN4/c1-11(2,3)9(4-5-13)16-10-8(12)6-14-7-15-10/h6-7,9H,4-5,13H2,1-3H3,(H,14,15,16).
What are the key properties of 3-N-(5-bromopyrimidin-4-yl)-4,4-dimethylpentane-1,3-diamine?
3-N-(5-bromopyrimidin-4-yl)-4,4-dimethylpentane-1,3-diamine has a molecular weight of 287.20 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(5-bromopyrimidin-4-yl)-4,4-dimethylpentane-1,3-diamine is sourced from PubChem (CID 106357805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).