1-[(2-amino-5-chloropyrimidin-4-yl)amino]-3-ethylpentan-2-ol

C11H19ClN4O — CID 106288959

IUPAC1-[(2-amino-5-chloropyrimidin-4-yl)amino]-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CNc1nc(N)ncc1Cl
InChIInChI=1S/C11H19ClN4O/c1-3-7(4-2)9(17)6-14-10-8(12)5-15-11(13)16-10/h5,7,9,17H,3-4,6H2,1-2H3,(H3,13,14,15,16)
InChIKeyXUGBFOSFZLINKV-UHFFFAOYSA-N
MW258.75 g/mol
LogP1.92
Rot. Bonds6

About 1-[(2-amino-5-chloropyrimidin-4-yl)amino]-3-ethylpentan-2-ol

1-[(2-amino-5-chloropyrimidin-4-yl)amino]-3-ethylpentan-2-ol (PubChem CID 106288959) has the molecular formula C11H19ClN4O and a molecular weight of 258.75 g/mol. Its IUPAC name is 1-[(2-amino-5-chloropyrimidin-4-yl)amino]-3-ethylpentan-2-ol.

Molecular Properties

Compound Name1-[(2-amino-5-chloropyrimidin-4-yl)amino]-3-ethylpentan-2-ol
PubChem CID106288959
Molecular FormulaC11H19ClN4O
Molecular Weight258.75 g/mol
Exact Mass258.12
IUPAC Name1-[(2-amino-5-chloropyrimidin-4-yl)amino]-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CNc1nc(N)ncc1Cl
InChIInChI=1S/C11H19ClN4O/c1-3-7(4-2)9(17)6-14-10-8(12)5-15-11(13)16-10/h5,7,9,17H,3-4,6H2,1-2H3,(H3,13,14,15,16)
InChIKeyXUGBFOSFZLINKV-UHFFFAOYSA-N
XLogP1.92
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-5-chloropyrimidin-4-yl)amino]-3-ethylpentan-2-ol?
The IUPAC name of 1-[(2-amino-5-chloropyrimidin-4-yl)amino]-3-ethylpentan-2-ol (CID 106288959) is 1-[(2-amino-5-chloropyrimidin-4-yl)amino]-3-ethylpentan-2-ol.
What is the SMILES notation for 1-[(2-amino-5-chloropyrimidin-4-yl)amino]-3-ethylpentan-2-ol?
The canonical SMILES for 1-[(2-amino-5-chloropyrimidin-4-yl)amino]-3-ethylpentan-2-ol is CCC(CC)C(O)CNc1nc(N)ncc1Cl.
What is the InChIKey of 1-[(2-amino-5-chloropyrimidin-4-yl)amino]-3-ethylpentan-2-ol?
The InChIKey is XUGBFOSFZLINKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O/c1-3-7(4-2)9(17)6-14-10-8(12)5-15-11(13)16-10/h5,7,9,17H,3-4,6H2,1-2H3,(H3,13,14,15,16).
What are the key properties of 1-[(2-amino-5-chloropyrimidin-4-yl)amino]-3-ethylpentan-2-ol?
1-[(2-amino-5-chloropyrimidin-4-yl)amino]-3-ethylpentan-2-ol has a molecular weight of 258.75 g/mol, XLogP of 1.92, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-5-chloropyrimidin-4-yl)amino]-3-ethylpentan-2-ol is sourced from PubChem (CID 106288959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).