1-[(2-aminopyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol

C9H16N4O2 — CID 80811340

IUPAC1-[(2-aminopyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)c1ccnc(N)n1
InChIInChI=1S/C9H16N4O2/c1-13(5-7(14)6-15-2)8-3-4-11-9(10)12-8/h3-4,7,14H,5-6H2,1-2H3,(H2,10,11,12)
InChIKeyDOPCYEDVKLAOIH-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.50
Rot. Bonds5

About 1-[(2-aminopyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol

1-[(2-aminopyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol (PubChem CID 80811340) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-[(2-aminopyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[(2-aminopyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol
PubChem CID80811340
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name1-[(2-aminopyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)c1ccnc(N)n1
InChIInChI=1S/C9H16N4O2/c1-13(5-7(14)6-15-2)8-3-4-11-9(10)12-8/h3-4,7,14H,5-6H2,1-2H3,(H2,10,11,12)
InChIKeyDOPCYEDVKLAOIH-UHFFFAOYSA-N
XLogP-0.50
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol
CID 64828925
1-[(5-amino-6-methoxy-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol
CID 54993621
1-methoxy-3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]propan-2-ol
CID 78955195
2-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-4-carbothioamide
CID 54998776
1-[(5-bromo-6-methyl-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol
CID 75443197
1-[(2-aminopyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
CID 80848859
1-[(3-amino-1,2-thiazol-5-yl)-methylamino]-3-methoxypropan-2-ol
CID 103361844
2-[(2-aminopyrimidin-4-yl)-methylamino]-N-methylacetamide
CID 80779602
1-[(2-hydroxy-3-methoxypropyl)-methylamino]isoquinolin-7-ol
CID 106541431
1-methoxy-3-[methyl-(6-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol
CID 80718215
4-N-(2-chloro-3-methoxypropyl)-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
CID 64828548
1-methoxy-3-(4-methoxy-N-methylanilino)propan-2-ol
CID 3725441

Frequently Asked Questions

What is the IUPAC name of 1-[(2-aminopyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[(2-aminopyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol (CID 80811340) is 1-[(2-aminopyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[(2-aminopyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[(2-aminopyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol is COCC(O)CN(C)c1ccnc(N)n1.
What is the InChIKey of 1-[(2-aminopyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol?
The InChIKey is DOPCYEDVKLAOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-13(5-7(14)6-15-2)8-3-4-11-9(10)12-8/h3-4,7,14H,5-6H2,1-2H3,(H2,10,11,12).
What are the key properties of 1-[(2-aminopyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol?
1-[(2-aminopyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol has a molecular weight of 212.25 g/mol, XLogP of -0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-aminopyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 80811340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).