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

C11H20N4O2 — CID 114157111

IUPAC3-methoxy-2-[[6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
SMILESCCCNc1cc(NC(CO)COC)ncn1
InChIInChI=1S/C11H20N4O2/c1-3-4-12-10-5-11(14-8-13-10)15-9(6-16)7-17-2/h5,8-9,16H,3-4,6-7H2,1-2H3,(H2,12,13,14,15)
InChIKeyNGYNWXGFBLQFOO-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.72
Rot. Bonds8

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

3-methoxy-2-[[6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol (PubChem CID 114157111) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-methoxy-2-[[6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-methoxy-2-[[6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
PubChem CID114157111
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name3-methoxy-2-[[6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
SMILESCCCNc1cc(NC(CO)COC)ncn1
InChIInChI=1S/C11H20N4O2/c1-3-4-12-10-5-11(14-8-13-10)15-9(6-16)7-17-2/h5,8-9,16H,3-4,6-7H2,1-2H3,(H2,12,13,14,15)
InChIKeyNGYNWXGFBLQFOO-UHFFFAOYSA-N
XLogP0.72
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-methoxy-2-[[6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol with MolForge

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Related Compounds

4-N-(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80765107
4-N-hexan-3-yl-6-N-propylpyrimidine-4,6-diamine
CID 80817415
4-methoxy-3-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 106163010
4-N-(4-methylpentan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80783948
3-methoxy-2-N-(6-propoxypyrimidin-4-yl)propane-1,2-diamine
CID 114154931
4-methoxy-3-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 106163156
4-N-ethyl-4-N-(1-methoxypropan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80815004
2-[(6-methoxypyrimidin-4-yl)amino]propane-1,3-diol
CID 66327855
4-methoxy-3-[(6-methoxypyrimidin-4-yl)amino]butan-1-ol
CID 106162039
4-N-[1-(diethylamino)propan-2-yl]-6-N-propylpyrimidine-4,6-diamine
CID 80816058
3-methyl-4-[[6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 80851233
4-methoxy-3-[(6-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
CID 113239941

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[[6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol?
The IUPAC name of 3-methoxy-2-[[6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol (CID 114157111) is 3-methoxy-2-[[6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 3-methoxy-2-[[6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol?
The canonical SMILES for 3-methoxy-2-[[6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol is CCCNc1cc(NC(CO)COC)ncn1.
What is the InChIKey of 3-methoxy-2-[[6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol?
The InChIKey is NGYNWXGFBLQFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-3-4-12-10-5-11(14-8-13-10)15-9(6-16)7-17-2/h5,8-9,16H,3-4,6-7H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 3-methoxy-2-[[6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol?
3-methoxy-2-[[6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol has a molecular weight of 240.31 g/mol, XLogP of 0.72, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[[6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 114157111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).