1-methoxy-3-[[6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol

C9H16N4O2 — CID 80834963

IUPAC1-methoxy-3-[[6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
SMILESCNc1cc(NCC(O)COC)ncn1
InChIInChI=1S/C9H16N4O2/c1-10-8-3-9(13-6-12-8)11-4-7(14)5-15-2/h3,6-7,14H,4-5H2,1-2H3,(H2,10,11,12,13)
InChIKeyUFOUFXPIPSBGAF-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.06
Rot. Bonds6

About 1-methoxy-3-[[6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol

1-methoxy-3-[[6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol (PubChem CID 80834963) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-methoxy-3-[[6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[[6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
PubChem CID80834963
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name1-methoxy-3-[[6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
SMILESCNc1cc(NCC(O)COC)ncn1
InChIInChI=1S/C9H16N4O2/c1-10-8-3-9(13-6-12-8)11-4-7(14)5-15-2/h3,6-7,14H,4-5H2,1-2H3,(H2,10,11,12,13)
InChIKeyUFOUFXPIPSBGAF-UHFFFAOYSA-N
XLogP-0.06
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[[6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol?
The IUPAC name of 1-methoxy-3-[[6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol (CID 80834963) is 1-methoxy-3-[[6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[[6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[[6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol is CNc1cc(NCC(O)COC)ncn1.
What is the InChIKey of 1-methoxy-3-[[6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol?
The InChIKey is UFOUFXPIPSBGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-10-8-3-9(13-6-12-8)11-4-7(14)5-15-2/h3,6-7,14H,4-5H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 1-methoxy-3-[[6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol?
1-methoxy-3-[[6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol has a molecular weight of 212.25 g/mol, XLogP of -0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[[6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol is sourced from PubChem (CID 80834963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).