2-[(2-chloro-6-methylpyrimidin-4-yl)amino]ethanol;ethane;2-methylpropane

C15H32ClN3O — CID 142930051

IUPAC2-[(2-chloro-6-methylpyrimidin-4-yl)amino]ethanol;ethane;2-methylpropane
SMILESCC.CC.CC(C)C.Cc1cc(NCCO)nc(Cl)n1
InChIInChI=1S/C7H10ClN3O.C4H10.2C2H6/c1-5-4-6(9-2-3-12)11-7(8)10-5;1-4(2)3;2*1-2/h4,12H,2-3H2,1H3,(H,9,10,11);4H,1-3H3;2*1-2H3
InChIKeyYFXZOEMTAHIKDO-UHFFFAOYSA-N
MW305.89 g/mol
LogP4.56
Rot. Bonds3

About 2-[(2-chloro-6-methylpyrimidin-4-yl)amino]ethanol;ethane;2-methylpropane

2-[(2-chloro-6-methylpyrimidin-4-yl)amino]ethanol;ethane;2-methylpropane (PubChem CID 142930051) has the molecular formula C15H32ClN3O and a molecular weight of 305.89 g/mol. Its IUPAC name is 2-[(2-chloro-6-methylpyrimidin-4-yl)amino]ethanol;ethane;2-methylpropane.

Molecular Properties

Compound Name2-[(2-chloro-6-methylpyrimidin-4-yl)amino]ethanol;ethane;2-methylpropane
PubChem CID142930051
Molecular FormulaC15H32ClN3O
Molecular Weight305.89 g/mol
Exact Mass305.22
IUPAC Name2-[(2-chloro-6-methylpyrimidin-4-yl)amino]ethanol;ethane;2-methylpropane
SMILESCC.CC.CC(C)C.Cc1cc(NCCO)nc(Cl)n1
InChIInChI=1S/C7H10ClN3O.C4H10.2C2H6/c1-5-4-6(9-2-3-12)11-7(8)10-5;1-4(2)3;2*1-2/h4,12H,2-3H2,1H3,(H,9,10,11);4H,1-3H3;2*1-2H3
InChIKeyYFXZOEMTAHIKDO-UHFFFAOYSA-N
XLogP4.56
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.89
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-chloro-6-methylpyrimidin-4-yl)amino]butan-1-ol
CID 106842931
4-[(2-chloro-6-methylpyrimidin-4-yl)amino]butanamide
CID 62482794
2-chloro-N-(4-methoxybutyl)-6-methylpyrimidin-4-amine
CID 62480987
2-chloro-6-methyl-N-propan-2-ylpyrimidin-4-amine
CID 53385561
2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 106341549
2-[[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethanol
CID 86217524
methyl 4-(2-hydroxyethylamino)-6-methylpyrimidine-2-carboxylate
CID 66285824
2-chloro-6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-amine
CID 106192920
2-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine
CID 62476087
2-[[(2-chloro-6-methylpyrimidin-4-yl)amino]methyl]phenol
CID 53250725
1-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 106293545
(2-chloro-6-methylpyrimidin-4-yl)hydrazine
CID 12581786

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-methylpyrimidin-4-yl)amino]ethanol;ethane;2-methylpropane?
The IUPAC name of 2-[(2-chloro-6-methylpyrimidin-4-yl)amino]ethanol;ethane;2-methylpropane (CID 142930051) is 2-[(2-chloro-6-methylpyrimidin-4-yl)amino]ethanol;ethane;2-methylpropane.
What is the SMILES notation for 2-[(2-chloro-6-methylpyrimidin-4-yl)amino]ethanol;ethane;2-methylpropane?
The canonical SMILES for 2-[(2-chloro-6-methylpyrimidin-4-yl)amino]ethanol;ethane;2-methylpropane is CC.CC.CC(C)C.Cc1cc(NCCO)nc(Cl)n1.
What is the InChIKey of 2-[(2-chloro-6-methylpyrimidin-4-yl)amino]ethanol;ethane;2-methylpropane?
The InChIKey is YFXZOEMTAHIKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O.C4H10.2C2H6/c1-5-4-6(9-2-3-12)11-7(8)10-5;1-4(2)3;2*1-2/h4,12H,2-3H2,1H3,(H,9,10,11);4H,1-3H3;2*1-2H3.
What are the key properties of 2-[(2-chloro-6-methylpyrimidin-4-yl)amino]ethanol;ethane;2-methylpropane?
2-[(2-chloro-6-methylpyrimidin-4-yl)amino]ethanol;ethane;2-methylpropane has a molecular weight of 305.89 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-methylpyrimidin-4-yl)amino]ethanol;ethane;2-methylpropane is sourced from PubChem (CID 142930051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).