3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol

C11H19N5O — CID 80856635

IUPAC3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
SMILESCCCNc1cc(NC2CC(O)C2)nc(N)n1
InChIInChI=1S/C11H19N5O/c1-2-3-13-9-6-10(16-11(12)15-9)14-7-4-8(17)5-7/h6-8,17H,2-5H2,1H3,(H4,12,13,14,15,16)
InChIKeyHHAWDHIZQSGSON-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.82
Rot. Bonds5

About 3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol

3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol (PubChem CID 80856635) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
PubChem CID80856635
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
SMILESCCCNc1cc(NC2CC(O)C2)nc(N)n1
InChIInChI=1S/C11H19N5O/c1-2-3-13-9-6-10(16-11(12)15-9)14-7-4-8(17)5-7/h6-8,17H,2-5H2,1H3,(H4,12,13,14,15,16)
InChIKeyHHAWDHIZQSGSON-UHFFFAOYSA-N
XLogP0.82
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 80958635
4-N-cyclohexyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80765080
6-N-propyl-4-N-(4-propylcyclohexyl)pyrimidine-2,4,6-triamine
CID 80782611
4-[[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106138505
8-[2-amino-6-(propylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 80845815
4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80813186
4-N-(3,5-dimethylcyclohexyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80840975
6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine
CID 80766256
4-N-cyclopropyl-6-N-ethylpyrimidine-2,4,6-triamine
CID 80766375
4-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80940576
4-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80955979
3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819032

Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol?
The IUPAC name of 3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol (CID 80856635) is 3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol.
What is the SMILES notation for 3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol?
The canonical SMILES for 3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol is CCCNc1cc(NC2CC(O)C2)nc(N)n1.
What is the InChIKey of 3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol?
The InChIKey is HHAWDHIZQSGSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-2-3-13-9-6-10(16-11(12)15-9)14-7-4-8(17)5-7/h6-8,17H,2-5H2,1H3,(H4,12,13,14,15,16).
What are the key properties of 3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol?
3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol has a molecular weight of 237.31 g/mol, XLogP of 0.82, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol is sourced from PubChem (CID 80856635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).