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

C17H22N4O — CID 91788557

IUPAC3-[2-amino-6-(3-phenylpropylamino)pyrimidin-4-yl]cyclobutan-1-ol
SMILESNc1nc(NCCCc2ccccc2)cc(C2CC(O)C2)n1
InChIInChI=1S/C17H22N4O/c18-17-20-15(13-9-14(22)10-13)11-16(21-17)19-8-4-7-12-5-2-1-3-6-12/h1-3,5-6,11,13-14,22H,4,7-10H2,(H3,18,19,20,21)
InChIKeyKNSOBOAJBLAGRI-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.34
Rot. Bonds6

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

3-[2-amino-6-(3-phenylpropylamino)pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91788557) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-[2-amino-6-(3-phenylpropylamino)pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[2-amino-6-(3-phenylpropylamino)pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91788557
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name3-[2-amino-6-(3-phenylpropylamino)pyrimidin-4-yl]cyclobutan-1-ol
SMILESNc1nc(NCCCc2ccccc2)cc(C2CC(O)C2)n1
InChIInChI=1S/C17H22N4O/c18-17-20-15(13-9-14(22)10-13)11-16(21-17)19-8-4-7-12-5-2-1-3-6-12/h1-3,5-6,11,13-14,22H,4,7-10H2,(H3,18,19,20,21)
InChIKeyKNSOBOAJBLAGRI-UHFFFAOYSA-N
XLogP2.34
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(3-aminocyclobutyl)-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 91766519
3-[2-amino-6-[3-(4-methoxyphenyl)propylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91787964
6-(3-aminocyclobutyl)-4-N-(4-phenylbutyl)pyrimidine-2,4-diamine
CID 91789180
3-[2-amino-6-(2-hydroxyethylamino)pyrimidin-4-yl]cyclobutan-1-ol
CID 91761176
6-(3-aminocyclobutyl)-4-N-(3-pyridin-4-ylpropyl)pyrimidine-2,4-diamine
CID 91787226
3-[2-amino-6-(3-indol-1-ylpropylamino)pyrimidin-4-yl]cyclobutan-1-ol
CID 91793294
3-[2-amino-6-[2-(4-phenyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91784009
3-[2-amino-6-(3-propan-2-yloxypropylamino)pyrimidin-4-yl]cyclobutan-1-ol
CID 91787116
3-[2-amino-6-[(1-benzylpyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91777110
6-N-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4,6-triamine
CID 80791770
3-[6-[3-(4-methoxyphenyl)propylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol
CID 91793673
N-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-2-chlorobenzamide
CID 91780839

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-6-(3-phenylpropylamino)pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[2-amino-6-(3-phenylpropylamino)pyrimidin-4-yl]cyclobutan-1-ol (CID 91788557) is 3-[2-amino-6-(3-phenylpropylamino)pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[2-amino-6-(3-phenylpropylamino)pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[2-amino-6-(3-phenylpropylamino)pyrimidin-4-yl]cyclobutan-1-ol is Nc1nc(NCCCc2ccccc2)cc(C2CC(O)C2)n1.
What is the InChIKey of 3-[2-amino-6-(3-phenylpropylamino)pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is KNSOBOAJBLAGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c18-17-20-15(13-9-14(22)10-13)11-16(21-17)19-8-4-7-12-5-2-1-3-6-12/h1-3,5-6,11,13-14,22H,4,7-10H2,(H3,18,19,20,21).
What are the key properties of 3-[2-amino-6-(3-phenylpropylamino)pyrimidin-4-yl]cyclobutan-1-ol?
3-[2-amino-6-(3-phenylpropylamino)pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 298.39 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-6-(3-phenylpropylamino)pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91788557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).