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

C11H18ClN3O2 — CID 106192405

IUPAC2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol
SMILESCOCC(CO)Nc1ncnc(Cl)c1C(C)C
InChIInChI=1S/C11H18ClN3O2/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,(H,13,14,15)
InChIKeyMWFQFGQJEVGSMT-UHFFFAOYSA-N
MW259.74 g/mol
LogP1.67
Rot. Bonds6

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

2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol (PubChem CID 106192405) has the molecular formula C11H18ClN3O2 and a molecular weight of 259.74 g/mol. Its IUPAC name is 2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol.

Molecular Properties

Compound Name2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol
PubChem CID106192405
Molecular FormulaC11H18ClN3O2
Molecular Weight259.74 g/mol
Exact Mass259.11
IUPAC Name2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol
SMILESCOCC(CO)Nc1ncnc(Cl)c1C(C)C
InChIInChI=1S/C11H18ClN3O2/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,(H,13,14,15)
InChIKeyMWFQFGQJEVGSMT-UHFFFAOYSA-N
XLogP1.67
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol?
The IUPAC name of 2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol (CID 106192405) is 2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol.
What is the SMILES notation for 2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol?
The canonical SMILES for 2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol is COCC(CO)Nc1ncnc(Cl)c1C(C)C.
What is the InChIKey of 2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol?
The InChIKey is MWFQFGQJEVGSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O2/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,(H,13,14,15).
What are the key properties of 2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol?
2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol has a molecular weight of 259.74 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol is sourced from PubChem (CID 106192405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).