3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]butan-1-ol

C11H19BrN4O — CID 83179478

IUPAC3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
SMILESCCCNc1ncc(Br)c(NC(C)CCO)n1
InChIInChI=1S/C11H19BrN4O/c1-3-5-13-11-14-7-9(12)10(16-11)15-8(2)4-6-17/h7-8,17H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKeyDRWNTSOSZANDEE-UHFFFAOYSA-N
MW303.20 g/mol
LogP2.24
Rot. Bonds7

About 3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]butan-1-ol

3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]butan-1-ol (PubChem CID 83179478) has the molecular formula C11H19BrN4O and a molecular weight of 303.20 g/mol. Its IUPAC name is 3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]butan-1-ol.

Molecular Properties

Compound Name3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
PubChem CID83179478
Molecular FormulaC11H19BrN4O
Molecular Weight303.20 g/mol
Exact Mass302.07
IUPAC Name3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
SMILESCCCNc1ncc(Br)c(NC(C)CCO)n1
InChIInChI=1S/C11H19BrN4O/c1-3-5-13-11-14-7-9(12)10(16-11)15-8(2)4-6-17/h7-8,17H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKeyDRWNTSOSZANDEE-UHFFFAOYSA-N
XLogP2.24
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]butan-1-ol with MolForge

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Related Compounds

5-bromo-4-N-[1-(dimethylamino)propan-2-yl]-2-N-propylpyrimidine-2,4-diamine
CID 82949363
2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]propane-1,3-diol
CID 80843445
2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80779857
3-[(5-bromo-2-methylpyrimidin-4-yl)amino]butan-1-ol
CID 131183416
5-bromo-2-hydrazinyl-N-pentan-2-ylpyrimidin-4-amine
CID 80932768
2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]-3-methylbutanamide
CID 106347577
5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80769891
5-bromo-2-N-ethyl-4-N-(6-methylheptan-2-yl)pyrimidine-2,4-diamine
CID 80801198
5-bromo-4-N-(2,3-dimethylbutyl)-2-N-propylpyrimidine-2,4-diamine
CID 80845273
5-bromo-4-N-hexan-2-yl-2-N-methylpyrimidine-2,4-diamine
CID 80822744
5-bromo-2-N-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine
CID 83147667
5-bromo-4-N-tert-butyl-2-N-propylpyrimidine-2,4-diamine
CID 80768856

Frequently Asked Questions

What is the IUPAC name of 3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]butan-1-ol?
The IUPAC name of 3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]butan-1-ol (CID 83179478) is 3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]butan-1-ol.
What is the SMILES notation for 3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]butan-1-ol?
The canonical SMILES for 3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]butan-1-ol is CCCNc1ncc(Br)c(NC(C)CCO)n1.
What is the InChIKey of 3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]butan-1-ol?
The InChIKey is DRWNTSOSZANDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN4O/c1-3-5-13-11-14-7-9(12)10(16-11)15-8(2)4-6-17/h7-8,17H,3-6H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]butan-1-ol?
3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]butan-1-ol has a molecular weight of 303.20 g/mol, XLogP of 2.24, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]butan-1-ol is sourced from PubChem (CID 83179478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).