3-methoxy-2-(pyrimidin-2-ylmethylamino)propan-1-ol

C9H15N3O2 — CID 106190329

IUPAC3-methoxy-2-(pyrimidin-2-ylmethylamino)propan-1-ol
SMILESCOCC(CO)NCc1ncccn1
InChIInChI=1S/C9H15N3O2/c1-14-7-8(6-13)12-5-9-10-3-2-4-11-9/h2-4,8,12-13H,5-7H2,1H3
InChIKeyNBEJZAYFMATSQR-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.43
Rot. Bonds6

About 3-methoxy-2-(pyrimidin-2-ylmethylamino)propan-1-ol

3-methoxy-2-(pyrimidin-2-ylmethylamino)propan-1-ol (PubChem CID 106190329) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-methoxy-2-(pyrimidin-2-ylmethylamino)propan-1-ol.

Molecular Properties

Compound Name3-methoxy-2-(pyrimidin-2-ylmethylamino)propan-1-ol
PubChem CID106190329
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name3-methoxy-2-(pyrimidin-2-ylmethylamino)propan-1-ol
SMILESCOCC(CO)NCc1ncccn1
InChIInChI=1S/C9H15N3O2/c1-14-7-8(6-13)12-5-9-10-3-2-4-11-9/h2-4,8,12-13H,5-7H2,1H3
InChIKeyNBEJZAYFMATSQR-UHFFFAOYSA-N
XLogP-0.43
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Pyrimidin-2-ylamino)ethanol
CID 572714
3-[(2-Aminopyrimidin-4-yl)amino]propan-1-ol
CID 80771887
2-(Methoxymethyl)pyrimidin-4-amine
CID 53407629
(4-Aminopyrimidin-2-yl)methanol
CID 53421437
(2R)-2-(pyrimidin-2-ylamino)butan-1-ol
CID 57328192
2-[(2-Chloropyrimidin-4-yl)amino]ethanol
CID 4737628
(2S)-2-[(2-chloropyrimidin-4-yl)amino]propan-1-ol
CID 94405683
Pyrimidylaminoethanol
CID 21557443
4-Pyrimidin-2-ylpiperazin-2-ol
CID 90736802
N-[1-(morpholin-4-yl)propan-2-yl]pyrimidin-4-amine
CID 61504371
(2R)-2-[(2-chloropyrimidin-4-yl)amino]propan-1-ol
CID 94405684
2-[(1S)-1-[2-ethoxyethyl(methyl)amino]ethyl]pyrimidin-4-amine
CID 125535677

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(pyrimidin-2-ylmethylamino)propan-1-ol?
The IUPAC name of 3-methoxy-2-(pyrimidin-2-ylmethylamino)propan-1-ol (CID 106190329) is 3-methoxy-2-(pyrimidin-2-ylmethylamino)propan-1-ol.
What is the SMILES notation for 3-methoxy-2-(pyrimidin-2-ylmethylamino)propan-1-ol?
The canonical SMILES for 3-methoxy-2-(pyrimidin-2-ylmethylamino)propan-1-ol is COCC(CO)NCc1ncccn1.
What is the InChIKey of 3-methoxy-2-(pyrimidin-2-ylmethylamino)propan-1-ol?
The InChIKey is NBEJZAYFMATSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-14-7-8(6-13)12-5-9-10-3-2-4-11-9/h2-4,8,12-13H,5-7H2,1H3.
What are the key properties of 3-methoxy-2-(pyrimidin-2-ylmethylamino)propan-1-ol?
3-methoxy-2-(pyrimidin-2-ylmethylamino)propan-1-ol has a molecular weight of 197.24 g/mol, XLogP of -0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(pyrimidin-2-ylmethylamino)propan-1-ol is sourced from PubChem (CID 106190329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).