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

C19H23N5O — CID 91793294

IUPAC3-[2-amino-6-(3-indol-1-ylpropylamino)pyrimidin-4-yl]cyclobutan-1-ol
SMILESNc1nc(NCCCn2ccc3ccccc32)cc(C2CC(O)C2)n1
InChIInChI=1S/C19H23N5O/c20-19-22-16(14-10-15(25)11-14)12-18(23-19)21-7-3-8-24-9-6-13-4-1-2-5-17(13)24/h1-2,4-6,9,12,14-15,25H,3,7-8,10-11H2,(H3,20,21,22,23)
InChIKeyYKQXGRHKAOTGDH-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.75
Rot. Bonds6

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

3-[2-amino-6-(3-indol-1-ylpropylamino)pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91793294) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 3-[2-amino-6-(3-indol-1-ylpropylamino)pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[2-amino-6-(3-indol-1-ylpropylamino)pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91793294
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name3-[2-amino-6-(3-indol-1-ylpropylamino)pyrimidin-4-yl]cyclobutan-1-ol
SMILESNc1nc(NCCCn2ccc3ccccc32)cc(C2CC(O)C2)n1
InChIInChI=1S/C19H23N5O/c20-19-22-16(14-10-15(25)11-14)12-18(23-19)21-7-3-8-24-9-6-13-4-1-2-5-17(13)24/h1-2,4-6,9,12,14-15,25H,3,7-8,10-11H2,(H3,20,21,22,23)
InChIKeyYKQXGRHKAOTGDH-UHFFFAOYSA-N
XLogP2.75
TPSA88.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-amino-6-(3-phenylpropylamino)pyrimidin-4-yl]cyclobutan-1-ol
CID 91788557
3-[2-amino-6-[3-(4-methoxyphenyl)propylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91787964
N-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 91786282
3-[2-amino-6-[(1-benzylpyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91777110
6-(3-aminocyclobutyl)-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 91766519
6-(3-aminocyclobutyl)-4-N-(2-indol-1-ylethyl)-4-N-methylpyrimidine-2,4-diamine
CID 91787968
6-(3-aminocyclobutyl)-4-N-(4-phenylbutyl)pyrimidine-2,4-diamine
CID 91789180
4-[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]butan-1-ol
CID 91792554
3-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one
CID 91769331
1-[2-(3-indol-1-ylpropylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 134700926
4-[[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide
CID 91760625
6-(3-aminocyclobutyl)-4-N-[3-(pyridin-3-ylamino)propyl]pyrimidine-2,4-diamine
CID 91779112

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-6-(3-indol-1-ylpropylamino)pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[2-amino-6-(3-indol-1-ylpropylamino)pyrimidin-4-yl]cyclobutan-1-ol (CID 91793294) is 3-[2-amino-6-(3-indol-1-ylpropylamino)pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[2-amino-6-(3-indol-1-ylpropylamino)pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[2-amino-6-(3-indol-1-ylpropylamino)pyrimidin-4-yl]cyclobutan-1-ol is Nc1nc(NCCCn2ccc3ccccc32)cc(C2CC(O)C2)n1.
What is the InChIKey of 3-[2-amino-6-(3-indol-1-ylpropylamino)pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is YKQXGRHKAOTGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c20-19-22-16(14-10-15(25)11-14)12-18(23-19)21-7-3-8-24-9-6-13-4-1-2-5-17(13)24/h1-2,4-6,9,12,14-15,25H,3,7-8,10-11H2,(H3,20,21,22,23).
What are the key properties of 3-[2-amino-6-(3-indol-1-ylpropylamino)pyrimidin-4-yl]cyclobutan-1-ol?
3-[2-amino-6-(3-indol-1-ylpropylamino)pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 337.43 g/mol, XLogP of 2.75, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-6-(3-indol-1-ylpropylamino)pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91793294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).