1-methoxy-4-[(4-propoxypyrimidin-2-yl)amino]butan-2-ol

C12H21N3O3 — CID 106248135

IUPAC1-methoxy-4-[(4-propoxypyrimidin-2-yl)amino]butan-2-ol
SMILESCCCOc1ccnc(NCCC(O)COC)n1
InChIInChI=1S/C12H21N3O3/c1-3-8-18-11-5-7-14-12(15-11)13-6-4-10(16)9-17-2/h5,7,10,16H,3-4,6,8-9H2,1-2H3,(H,13,14,15)
InChIKeyMRKQDMLXMWGCCM-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.07
Rot. Bonds9

About 1-methoxy-4-[(4-propoxypyrimidin-2-yl)amino]butan-2-ol

1-methoxy-4-[(4-propoxypyrimidin-2-yl)amino]butan-2-ol (PubChem CID 106248135) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-methoxy-4-[(4-propoxypyrimidin-2-yl)amino]butan-2-ol.

Molecular Properties

Compound Name1-methoxy-4-[(4-propoxypyrimidin-2-yl)amino]butan-2-ol
PubChem CID106248135
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name1-methoxy-4-[(4-propoxypyrimidin-2-yl)amino]butan-2-ol
SMILESCCCOc1ccnc(NCCC(O)COC)n1
InChIInChI=1S/C12H21N3O3/c1-3-8-18-11-5-7-14-12(15-11)13-6-4-10(16)9-17-2/h5,7,10,16H,3-4,6,8-9H2,1-2H3,(H,13,14,15)
InChIKeyMRKQDMLXMWGCCM-UHFFFAOYSA-N
XLogP1.07
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-methoxypyrimidin-2-yl)amino]pentan-3-ol
CID 115702045
N-(7-methyloctyl)-4-propoxypyrimidin-2-amine
CID 107816065
2-methyl-5-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 104683082
2-[2-(propylamino)pyrimidin-4-yl]oxyethanol
CID 80860272
N-(3-methylbut-2-enyl)-4-propoxypyrimidin-2-amine
CID 106191641
1-methoxy-4-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 106248711
3-[(4-propoxypyrimidin-2-yl)amino]butan-1-ol
CID 112638477
N-(3-methylpentan-2-yl)-4-propoxypyrimidin-2-amine
CID 112637141
3-methyl-1-N-(4-propoxypyrimidin-2-yl)butane-1,2-diamine
CID 112638691
N-ethyl-2-[(4-propoxypyrimidin-2-yl)amino]ethanesulfonamide
CID 106338349
4-butoxy-N-ethylpyrimidin-2-amine
CID 80865329
N-(3-cyclopentylpropyl)-4-propoxypyrimidin-2-amine
CID 106012839

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(4-propoxypyrimidin-2-yl)amino]butan-2-ol?
The IUPAC name of 1-methoxy-4-[(4-propoxypyrimidin-2-yl)amino]butan-2-ol (CID 106248135) is 1-methoxy-4-[(4-propoxypyrimidin-2-yl)amino]butan-2-ol.
What is the SMILES notation for 1-methoxy-4-[(4-propoxypyrimidin-2-yl)amino]butan-2-ol?
The canonical SMILES for 1-methoxy-4-[(4-propoxypyrimidin-2-yl)amino]butan-2-ol is CCCOc1ccnc(NCCC(O)COC)n1.
What is the InChIKey of 1-methoxy-4-[(4-propoxypyrimidin-2-yl)amino]butan-2-ol?
The InChIKey is MRKQDMLXMWGCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-3-8-18-11-5-7-14-12(15-11)13-6-4-10(16)9-17-2/h5,7,10,16H,3-4,6,8-9H2,1-2H3,(H,13,14,15).
What are the key properties of 1-methoxy-4-[(4-propoxypyrimidin-2-yl)amino]butan-2-ol?
1-methoxy-4-[(4-propoxypyrimidin-2-yl)amino]butan-2-ol has a molecular weight of 255.32 g/mol, XLogP of 1.07, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(4-propoxypyrimidin-2-yl)amino]butan-2-ol is sourced from PubChem (CID 106248135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).