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

C11H20N4O — CID 83180272

IUPAC3-[[2-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
SMILESCCCNc1nccc(NC(C)CCO)n1
InChIInChI=1S/C11H20N4O/c1-3-6-12-11-13-7-4-10(15-11)14-9(2)5-8-16/h4,7,9,16H,3,5-6,8H2,1-2H3,(H2,12,13,14,15)
InChIKeyRCQCNQRAOSDHRK-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.48
Rot. Bonds7

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

3-[[2-(propylamino)pyrimidin-4-yl]amino]butan-1-ol (PubChem CID 83180272) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-[[2-(propylamino)pyrimidin-4-yl]amino]butan-1-ol.

Molecular Properties

Compound Name3-[[2-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
PubChem CID83180272
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-[[2-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
SMILESCCCNc1nccc(NC(C)CCO)n1
InChIInChI=1S/C11H20N4O/c1-3-6-12-11-13-7-4-10(15-11)14-9(2)5-8-16/h4,7,9,16H,3,5-6,8H2,1-2H3,(H2,12,13,14,15)
InChIKeyRCQCNQRAOSDHRK-UHFFFAOYSA-N
XLogP1.48
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(1-phenylpropan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80830735
4-N-butan-2-yl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112883545
N,N-dimethyl-2-[[2-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 80802710
3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 114565668
4-N-[4-(dimethylamino)butan-2-yl]-2-N-ethylpyrimidine-2,4-diamine
CID 80807193
3-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83180781
3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83179478
2-N,4-N-di(butan-2-yl)pyrimidine-2,4-diamine
CID 112883470
2-N-ethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 80765362
2-N-ethyl-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4-diamine
CID 80786237
4,4-dimethyl-1-[[2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 107159619
4-N-butan-2-yl-2-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112883509

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(propylamino)pyrimidin-4-yl]amino]butan-1-ol?
The IUPAC name of 3-[[2-(propylamino)pyrimidin-4-yl]amino]butan-1-ol (CID 83180272) is 3-[[2-(propylamino)pyrimidin-4-yl]amino]butan-1-ol.
What is the SMILES notation for 3-[[2-(propylamino)pyrimidin-4-yl]amino]butan-1-ol?
The canonical SMILES for 3-[[2-(propylamino)pyrimidin-4-yl]amino]butan-1-ol is CCCNc1nccc(NC(C)CCO)n1.
What is the InChIKey of 3-[[2-(propylamino)pyrimidin-4-yl]amino]butan-1-ol?
The InChIKey is RCQCNQRAOSDHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-6-12-11-13-7-4-10(15-11)14-9(2)5-8-16/h4,7,9,16H,3,5-6,8H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 3-[[2-(propylamino)pyrimidin-4-yl]amino]butan-1-ol?
3-[[2-(propylamino)pyrimidin-4-yl]amino]butan-1-ol has a molecular weight of 224.31 g/mol, XLogP of 1.48, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(propylamino)pyrimidin-4-yl]amino]butan-1-ol is sourced from PubChem (CID 83180272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).