2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol

C11H20N4O2 — CID 106198795

IUPAC2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol
SMILESCOCC(CO)Nc1ncnc(N)c1C(C)C
InChIInChI=1S/C11H20N4O2/c1-7(2)9-10(12)13-6-14-11(9)15-8(4-16)5-17-3/h6-8,16H,4-5H2,1-3H3,(H3,12,13,14,15)
InChIKeyPILVYFRUFFPTBP-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.60
Rot. Bonds6

About 2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol

2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol (PubChem CID 106198795) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol.

Molecular Properties

Compound Name2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol
PubChem CID106198795
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol
SMILESCOCC(CO)Nc1ncnc(N)c1C(C)C
InChIInChI=1S/C11H20N4O2/c1-7(2)9-10(12)13-6-14-11(9)15-8(4-16)5-17-3/h6-8,16H,4-5H2,1-3H3,(H3,12,13,14,15)
InChIKeyPILVYFRUFFPTBP-UHFFFAOYSA-N
XLogP0.60
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol?
The IUPAC name of 2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol (CID 106198795) is 2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol.
What is the SMILES notation for 2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol?
The canonical SMILES for 2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol is COCC(CO)Nc1ncnc(N)c1C(C)C.
What is the InChIKey of 2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol?
The InChIKey is PILVYFRUFFPTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-7(2)9-10(12)13-6-14-11(9)15-8(4-16)5-17-3/h6-8,16H,4-5H2,1-3H3,(H3,12,13,14,15).
What are the key properties of 2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol?
2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol has a molecular weight of 240.31 g/mol, XLogP of 0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol is sourced from PubChem (CID 106198795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).