1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]pentan-2-ol

C10H16ClN3O2 — CID 115733636

IUPAC1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]pentan-2-ol
SMILESCCCC(O)CNc1nc(OC)ncc1Cl
InChIInChI=1S/C10H16ClN3O2/c1-3-4-7(15)5-12-9-8(11)6-13-10(14-9)16-2/h6-7,15H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyCEIILAGFQJUSNN-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.71
Rot. Bonds6

About 1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]pentan-2-ol

1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]pentan-2-ol (PubChem CID 115733636) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is 1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]pentan-2-ol
PubChem CID115733636
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Name1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]pentan-2-ol
SMILESCCCC(O)CNc1nc(OC)ncc1Cl
InChIInChI=1S/C10H16ClN3O2/c1-3-4-7(15)5-12-9-8(11)6-13-10(14-9)16-2/h6-7,15H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyCEIILAGFQJUSNN-UHFFFAOYSA-N
XLogP1.71
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]pentan-2-ol?
The IUPAC name of 1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]pentan-2-ol (CID 115733636) is 1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]pentan-2-ol.
What is the SMILES notation for 1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]pentan-2-ol?
The canonical SMILES for 1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]pentan-2-ol is CCCC(O)CNc1nc(OC)ncc1Cl.
What is the InChIKey of 1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]pentan-2-ol?
The InChIKey is CEIILAGFQJUSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2/c1-3-4-7(15)5-12-9-8(11)6-13-10(14-9)16-2/h6-7,15H,3-5H2,1-2H3,(H,12,13,14).
What are the key properties of 1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]pentan-2-ol?
1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]pentan-2-ol has a molecular weight of 245.71 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]pentan-2-ol is sourced from PubChem (CID 115733636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).