4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butan-1-ol

C10H16ClN3O — CID 106842944

IUPAC4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butan-1-ol
SMILESCCc1nc(Cl)cc(NCCCCO)n1
InChIInChI=1S/C10H16ClN3O/c1-2-9-13-8(11)7-10(14-9)12-5-3-4-6-15/h7,15H,2-6H2,1H3,(H,12,13,14)
InChIKeyNVPPSCKXHBUPJM-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.88
Rot. Bonds6

About 4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butan-1-ol

4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butan-1-ol (PubChem CID 106842944) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butan-1-ol
PubChem CID106842944
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butan-1-ol
SMILESCCc1nc(Cl)cc(NCCCCO)n1
InChIInChI=1S/C10H16ClN3O/c1-2-9-13-8(11)7-10(14-9)12-5-3-4-6-15/h7,15H,2-6H2,1H3,(H,12,13,14)
InChIKeyNVPPSCKXHBUPJM-UHFFFAOYSA-N
XLogP1.88
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106162556
6-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol
CID 114009544
5-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 107324238
4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butanamide
CID 80936075
5-[(6-amino-2-ethylpyrimidin-4-yl)amino]pentan-1-ol
CID 107302539
4-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]butan-1-ol
CID 106842915
3-[(6-chloro-2-ethylpyrimidin-4-yl)amino]propanamide
CID 80936690
N-(6-chloro-2-ethylpyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 80938806
4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]butan-1-ol
CID 106842916
5-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol
CID 107318321
2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide
CID 80936600
3-[[(6-chloro-2-ethylpyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 114145568

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butan-1-ol?
The IUPAC name of 4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butan-1-ol (CID 106842944) is 4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butan-1-ol.
What is the SMILES notation for 4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butan-1-ol?
The canonical SMILES for 4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butan-1-ol is CCc1nc(Cl)cc(NCCCCO)n1.
What is the InChIKey of 4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butan-1-ol?
The InChIKey is NVPPSCKXHBUPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-2-9-13-8(11)7-10(14-9)12-5-3-4-6-15/h7,15H,2-6H2,1H3,(H,12,13,14).
What are the key properties of 4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butan-1-ol?
4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butan-1-ol has a molecular weight of 229.71 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 106842944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).