1-(prop-2-enylamino)-3-pyrimidin-2-yloxypropan-2-ol

C10H15N3O2 — CID 70545011

IUPAC1-(prop-2-enylamino)-3-pyrimidin-2-yloxypropan-2-ol
SMILESC=CCNCC(O)COc1ncccn1
InChIInChI=1S/C10H15N3O2/c1-2-4-11-7-9(14)8-15-10-12-5-3-6-13-10/h2-3,5-6,9,11,14H,1,4,7-8H2
InChIKeyKSUKQCFODRTCFU-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.01
Rot. Bonds7

About 1-(prop-2-enylamino)-3-pyrimidin-2-yloxypropan-2-ol

1-(prop-2-enylamino)-3-pyrimidin-2-yloxypropan-2-ol (PubChem CID 70545011) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-(prop-2-enylamino)-3-pyrimidin-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(prop-2-enylamino)-3-pyrimidin-2-yloxypropan-2-ol
PubChem CID70545011
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name1-(prop-2-enylamino)-3-pyrimidin-2-yloxypropan-2-ol
SMILESC=CCNCC(O)COc1ncccn1
InChIInChI=1S/C10H15N3O2/c1-2-4-11-7-9(14)8-15-10-12-5-3-6-13-10/h2-3,5-6,9,11,14H,1,4,7-8H2
InChIKeyKSUKQCFODRTCFU-UHFFFAOYSA-N
XLogP-0.01
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-phenylmethoxy-3-(prop-2-enylamino)propan-2-ol
CID 118006903
1-(2,5-dichlorophenoxy)-3-(prop-2-enylamino)propan-2-ol
CID 3542105
(2S)-1-(2,5-dichlorophenoxy)-3-(prop-2-enylamino)propan-2-ol
CID 2114447
1-[4-[(2S)-2-hydroxy-3-(prop-2-enylamino)propoxy]phenyl]propan-1-one
CID 51566532
(2R)-1-(furan-2-ylmethoxy)-3-(prop-2-enylamino)propan-2-ol
CID 93381179
4-[2-hydroxy-3-(prop-2-enylamino)propoxy]xanthen-9-one;hydrochloride
CID 44570782
(2S)-1-(prop-2-enylamino)-3-thiophen-2-ylsulfanylpropan-2-ol
CID 7004667
1-(2-methoxyethoxy)-3-(prop-2-enylamino)propan-2-ol
CID 106988982
1-(but-3-enylamino)-3-(3-chlorophenoxy)propan-2-ol
CID 113465655
1-[2-[3-[2-hydroxy-3-(prop-2-enylamino)propoxy]thiophen-2-yl]phenyl]propan-1-one
CID 67928263
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
1-butoxy-3-(prop-2-enylamino)propan-2-ol
CID 107262418

Frequently Asked Questions

What is the IUPAC name of 1-(prop-2-enylamino)-3-pyrimidin-2-yloxypropan-2-ol?
The IUPAC name of 1-(prop-2-enylamino)-3-pyrimidin-2-yloxypropan-2-ol (CID 70545011) is 1-(prop-2-enylamino)-3-pyrimidin-2-yloxypropan-2-ol.
What is the SMILES notation for 1-(prop-2-enylamino)-3-pyrimidin-2-yloxypropan-2-ol?
The canonical SMILES for 1-(prop-2-enylamino)-3-pyrimidin-2-yloxypropan-2-ol is C=CCNCC(O)COc1ncccn1.
What is the InChIKey of 1-(prop-2-enylamino)-3-pyrimidin-2-yloxypropan-2-ol?
The InChIKey is KSUKQCFODRTCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-2-4-11-7-9(14)8-15-10-12-5-3-6-13-10/h2-3,5-6,9,11,14H,1,4,7-8H2.
What are the key properties of 1-(prop-2-enylamino)-3-pyrimidin-2-yloxypropan-2-ol?
1-(prop-2-enylamino)-3-pyrimidin-2-yloxypropan-2-ol has a molecular weight of 209.25 g/mol, XLogP of -0.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(prop-2-enylamino)-3-pyrimidin-2-yloxypropan-2-ol is sourced from PubChem (CID 70545011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).