3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol

C11H18ClN3O — CID 79556195

IUPAC3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol
SMILESCCc1nc(Cl)c(C)c(NCC(C)CO)n1
InChIInChI=1S/C11H18ClN3O/c1-4-9-14-10(12)8(3)11(15-9)13-5-7(2)6-16/h7,16H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyGQMSSKYBTXKEGS-UHFFFAOYSA-N
MW243.74 g/mol
LogP2.04
Rot. Bonds5

About 3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol

3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol (PubChem CID 79556195) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol
PubChem CID79556195
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol
SMILESCCc1nc(Cl)c(C)c(NCC(C)CO)n1
InChIInChI=1S/C11H18ClN3O/c1-4-9-14-10(12)8(3)11(15-9)13-5-7(2)6-16/h7,16H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyGQMSSKYBTXKEGS-UHFFFAOYSA-N
XLogP2.04
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol?
The IUPAC name of 3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol (CID 79556195) is 3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol?
The canonical SMILES for 3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol is CCc1nc(Cl)c(C)c(NCC(C)CO)n1.
What is the InChIKey of 3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol?
The InChIKey is GQMSSKYBTXKEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-4-9-14-10(12)8(3)11(15-9)13-5-7(2)6-16/h7,16H,4-6H2,1-3H3,(H,13,14,15).
What are the key properties of 3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol?
3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol has a molecular weight of 243.74 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol is sourced from PubChem (CID 79556195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).