(2R)-2-[(4-amino-6-methoxypyrimidin-5-yl)methylamino]propan-1-ol

C9H16N4O2 — CID 103773604

IUPAC(2R)-2-[(4-amino-6-methoxypyrimidin-5-yl)methylamino]propan-1-ol
SMILESCOc1ncnc(N)c1CN[C@H](C)CO
InChIInChI=1S/C9H16N4O2/c1-6(4-14)11-3-7-8(10)12-5-13-9(7)15-2/h5-6,11,14H,3-4H2,1-2H3,(H2,10,12,13)/t6-/m1/s1
InChIKeyHJXFZKUTIYLSGM-ZCFIWIBFSA-N
MW212.25 g/mol
LogP-0.46
Rot. Bonds5

About (2R)-2-[(4-amino-6-methoxypyrimidin-5-yl)methylamino]propan-1-ol

(2R)-2-[(4-amino-6-methoxypyrimidin-5-yl)methylamino]propan-1-ol (PubChem CID 103773604) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is (2R)-2-[(4-amino-6-methoxypyrimidin-5-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(4-amino-6-methoxypyrimidin-5-yl)methylamino]propan-1-ol
PubChem CID103773604
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name(2R)-2-[(4-amino-6-methoxypyrimidin-5-yl)methylamino]propan-1-ol
SMILESCOc1ncnc(N)c1CN[C@H](C)CO
InChIInChI=1S/C9H16N4O2/c1-6(4-14)11-3-7-8(10)12-5-13-9(7)15-2/h5-6,11,14H,3-4H2,1-2H3,(H2,10,12,13)/t6-/m1/s1
InChIKeyHJXFZKUTIYLSGM-ZCFIWIBFSA-N
XLogP-0.46
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-amino-6-methoxypyrimidin-5-yl)methylamino]propan-1-ol?
The IUPAC name of (2R)-2-[(4-amino-6-methoxypyrimidin-5-yl)methylamino]propan-1-ol (CID 103773604) is (2R)-2-[(4-amino-6-methoxypyrimidin-5-yl)methylamino]propan-1-ol.
What is the SMILES notation for (2R)-2-[(4-amino-6-methoxypyrimidin-5-yl)methylamino]propan-1-ol?
The canonical SMILES for (2R)-2-[(4-amino-6-methoxypyrimidin-5-yl)methylamino]propan-1-ol is COc1ncnc(N)c1CN[C@H](C)CO.
What is the InChIKey of (2R)-2-[(4-amino-6-methoxypyrimidin-5-yl)methylamino]propan-1-ol?
The InChIKey is HJXFZKUTIYLSGM-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-6(4-14)11-3-7-8(10)12-5-13-9(7)15-2/h5-6,11,14H,3-4H2,1-2H3,(H2,10,12,13)/t6-/m1/s1.
What are the key properties of (2R)-2-[(4-amino-6-methoxypyrimidin-5-yl)methylamino]propan-1-ol?
(2R)-2-[(4-amino-6-methoxypyrimidin-5-yl)methylamino]propan-1-ol has a molecular weight of 212.25 g/mol, XLogP of -0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-amino-6-methoxypyrimidin-5-yl)methylamino]propan-1-ol is sourced from PubChem (CID 103773604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).