(1R,2R)-2-amino-1-[[2-(3-propan-2-ylphenoxy)pyrimidin-5-yl]amino]propan-1-ol

C16H22N4O2 — CID 118928201

IUPAC(1R,2R)-2-amino-1-[[2-(3-propan-2-ylphenoxy)pyrimidin-5-yl]amino]propan-1-ol
SMILESCC(C)c1cccc(Oc2ncc(N[C@H](O)[C@@H](C)N)cn2)c1
InChIInChI=1S/C16H22N4O2/c1-10(2)12-5-4-6-14(7-12)22-16-18-8-13(9-19-16)20-15(21)11(3)17/h4-11,15,20-21H,17H2,1-3H3/t11-,15-/m1/s1
InChIKeyGFSUDBRIITZMNO-IAQYHMDHSA-N
MW302.38 g/mol
LogP2.47
Rot. Bonds6

About (1R,2R)-2-amino-1-[[2-(3-propan-2-ylphenoxy)pyrimidin-5-yl]amino]propan-1-ol

(1R,2R)-2-amino-1-[[2-(3-propan-2-ylphenoxy)pyrimidin-5-yl]amino]propan-1-ol (PubChem CID 118928201) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is (1R,2R)-2-amino-1-[[2-(3-propan-2-ylphenoxy)pyrimidin-5-yl]amino]propan-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-amino-1-[[2-(3-propan-2-ylphenoxy)pyrimidin-5-yl]amino]propan-1-ol
PubChem CID118928201
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name(1R,2R)-2-amino-1-[[2-(3-propan-2-ylphenoxy)pyrimidin-5-yl]amino]propan-1-ol
SMILESCC(C)c1cccc(Oc2ncc(N[C@H](O)[C@@H](C)N)cn2)c1
InChIInChI=1S/C16H22N4O2/c1-10(2)12-5-4-6-14(7-12)22-16-18-8-13(9-19-16)20-15(21)11(3)17/h4-11,15,20-21H,17H2,1-3H3/t11-,15-/m1/s1
InChIKeyGFSUDBRIITZMNO-IAQYHMDHSA-N
XLogP2.47
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (1R,2R)-2-amino-1-[[2-(3-propan-2-ylphenoxy)pyrimidin-5-yl]amino]propan-1-ol with MolForge

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Related Compounds

5-(chloromethyl)-2-(3-propan-2-ylphenoxy)pyrimidine
CID 113387977
2-methyl-1-[3-(4-propan-2-ylphenoxy)anilino]propan-1-ol
CID 129035187
1,3-bis(3-propan-2-ylphenoxy)benzene
CID 90260311
(1R)-1-[5-(3-propan-2-ylphenoxy)-2-pyridinyl]ethanamine
CID 83127124
2-(3-propan-2-ylphenoxy)pyrimidine-4-carbothioamide
CID 107548423
(1R)-1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 29276487
1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 43102412
(1S)-1-[2-(3-propan-2-ylphenoxy)phenyl]ethanol
CID 63372506
N'-hydroxy-2-(3-propan-2-ylphenoxy)pyrimidine-4-carboximidamide
CID 136907170
2-chloro-5-(3-propan-2-ylphenoxy)pyridine
CID 82225199
CID 91869714
CID 91869714
[2-propan-2-yl-5-(3-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine
CID 62296045

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-amino-1-[[2-(3-propan-2-ylphenoxy)pyrimidin-5-yl]amino]propan-1-ol?
The IUPAC name of (1R,2R)-2-amino-1-[[2-(3-propan-2-ylphenoxy)pyrimidin-5-yl]amino]propan-1-ol (CID 118928201) is (1R,2R)-2-amino-1-[[2-(3-propan-2-ylphenoxy)pyrimidin-5-yl]amino]propan-1-ol.
What is the SMILES notation for (1R,2R)-2-amino-1-[[2-(3-propan-2-ylphenoxy)pyrimidin-5-yl]amino]propan-1-ol?
The canonical SMILES for (1R,2R)-2-amino-1-[[2-(3-propan-2-ylphenoxy)pyrimidin-5-yl]amino]propan-1-ol is CC(C)c1cccc(Oc2ncc(N[C@H](O)[C@@H](C)N)cn2)c1.
What is the InChIKey of (1R,2R)-2-amino-1-[[2-(3-propan-2-ylphenoxy)pyrimidin-5-yl]amino]propan-1-ol?
The InChIKey is GFSUDBRIITZMNO-IAQYHMDHSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-10(2)12-5-4-6-14(7-12)22-16-18-8-13(9-19-16)20-15(21)11(3)17/h4-11,15,20-21H,17H2,1-3H3/t11-,15-/m1/s1.
What are the key properties of (1R,2R)-2-amino-1-[[2-(3-propan-2-ylphenoxy)pyrimidin-5-yl]amino]propan-1-ol?
(1R,2R)-2-amino-1-[[2-(3-propan-2-ylphenoxy)pyrimidin-5-yl]amino]propan-1-ol has a molecular weight of 302.38 g/mol, XLogP of 2.47, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-amino-1-[[2-(3-propan-2-ylphenoxy)pyrimidin-5-yl]amino]propan-1-ol is sourced from PubChem (CID 118928201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).