3-[(6-bromopyrimidin-4-yl)amino]-3-methylpentan-1-ol

C10H16BrN3O — CID 106178733

IUPAC3-[(6-bromopyrimidin-4-yl)amino]-3-methylpentan-1-ol
SMILESCCC(C)(CCO)Nc1cc(Br)ncn1
InChIInChI=1S/C10H16BrN3O/c1-3-10(2,4-5-15)14-9-6-8(11)12-7-13-9/h6-7,15H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyWMWQDSMOANXKSC-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.20
Rot. Bonds5

About 3-[(6-bromopyrimidin-4-yl)amino]-3-methylpentan-1-ol

3-[(6-bromopyrimidin-4-yl)amino]-3-methylpentan-1-ol (PubChem CID 106178733) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is 3-[(6-bromopyrimidin-4-yl)amino]-3-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(6-bromopyrimidin-4-yl)amino]-3-methylpentan-1-ol
PubChem CID106178733
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name3-[(6-bromopyrimidin-4-yl)amino]-3-methylpentan-1-ol
SMILESCCC(C)(CCO)Nc1cc(Br)ncn1
InChIInChI=1S/C10H16BrN3O/c1-3-10(2,4-5-15)14-9-6-8(11)12-7-13-9/h6-7,15H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyWMWQDSMOANXKSC-UHFFFAOYSA-N
XLogP2.20
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-Fluoropyrimidin-4-yl)amino]-3-methylpentan-1-ol
CID 106178744
3-[(6-Bromopyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
CID 106178802
3-[(6-Fluoropyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 106352549
3-[(6-Fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106352610
2-Ethyl-2-[(6-fluoropyrimidin-4-yl)amino]butan-1-ol
CID 115416901
2-[(6-Fluoropyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 115417065
3-[(6-Fluoropyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 116343683
2-Ethyl-2-(pyrimidin-4-ylamino)butan-1-ol
CID 62519228
2-[(6-Chloropyrimidin-4-yl)amino]-2-ethylbutan-1-ol
CID 62521440
2-Ethyl-2-[(2-methylpyrimidin-4-yl)amino]butan-1-ol
CID 62784555
2-[(6-Aminopyrimidin-4-yl)amino]-2-methylpropan-1-ol
CID 80778552
2-Methyl-2-[[6-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80779033

Frequently Asked Questions

What is the IUPAC name of 3-[(6-bromopyrimidin-4-yl)amino]-3-methylpentan-1-ol?
The IUPAC name of 3-[(6-bromopyrimidin-4-yl)amino]-3-methylpentan-1-ol (CID 106178733) is 3-[(6-bromopyrimidin-4-yl)amino]-3-methylpentan-1-ol.
What is the SMILES notation for 3-[(6-bromopyrimidin-4-yl)amino]-3-methylpentan-1-ol?
The canonical SMILES for 3-[(6-bromopyrimidin-4-yl)amino]-3-methylpentan-1-ol is CCC(C)(CCO)Nc1cc(Br)ncn1.
What is the InChIKey of 3-[(6-bromopyrimidin-4-yl)amino]-3-methylpentan-1-ol?
The InChIKey is WMWQDSMOANXKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-3-10(2,4-5-15)14-9-6-8(11)12-7-13-9/h6-7,15H,3-5H2,1-2H3,(H,12,13,14).
What are the key properties of 3-[(6-bromopyrimidin-4-yl)amino]-3-methylpentan-1-ol?
3-[(6-bromopyrimidin-4-yl)amino]-3-methylpentan-1-ol has a molecular weight of 274.16 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-bromopyrimidin-4-yl)amino]-3-methylpentan-1-ol is sourced from PubChem (CID 106178733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).