3,3-dimethyl-4-[(6-methylsulfanylpyrimidin-4-yl)amino]butan-1-ol

C11H19N3OS — CID 106144784

IUPAC3,3-dimethyl-4-[(6-methylsulfanylpyrimidin-4-yl)amino]butan-1-ol
SMILESCSc1cc(NCC(C)(C)CCO)ncn1
InChIInChI=1S/C11H19N3OS/c1-11(2,4-5-15)7-12-9-6-10(16-3)14-8-13-9/h6,8,15H,4-5,7H2,1-3H3,(H,12,13,14)
InChIKeyYWELYNHNQGZJAC-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.02
Rot. Bonds6

About 3,3-dimethyl-4-[(6-methylsulfanylpyrimidin-4-yl)amino]butan-1-ol

3,3-dimethyl-4-[(6-methylsulfanylpyrimidin-4-yl)amino]butan-1-ol (PubChem CID 106144784) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 3,3-dimethyl-4-[(6-methylsulfanylpyrimidin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-4-[(6-methylsulfanylpyrimidin-4-yl)amino]butan-1-ol
PubChem CID106144784
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name3,3-dimethyl-4-[(6-methylsulfanylpyrimidin-4-yl)amino]butan-1-ol
SMILESCSc1cc(NCC(C)(C)CCO)ncn1
InChIInChI=1S/C11H19N3OS/c1-11(2,4-5-15)7-12-9-6-10(16-3)14-8-13-9/h6,8,15H,4-5,7H2,1-3H3,(H,12,13,14)
InChIKeyYWELYNHNQGZJAC-UHFFFAOYSA-N
XLogP2.02
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 106972565
2-ethyl-2-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]butan-1-ol
CID 114164755
2,2-dimethyl-3-[(6-methylsulfanylpyrimidin-4-yl)amino]propanamide
CID 106277817
3,3-dimethyl-4-[(6-propylpyrimidin-4-yl)amino]butan-1-ol
CID 106144540
2-ethyl-2-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]butanoic acid
CID 106972325
4-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149850
N-(2-methylpropyl)-6-methylsulfanylpyrimidin-4-amine
CID 106972533
1-N-(6-methylsulfanylpyrimidin-4-yl)propane-1,2-diamine
CID 106973229
2-ethyl-2-[(6-methylsulfanylpyrimidin-4-yl)amino]propane-1,3-diol
CID 107866289
N-(cyclopropylmethyl)-6-methylsulfanylpyrimidin-4-amine
CID 106972538
4-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]phenol
CID 106973079
2-[(6-methylsulfanylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol
CID 106973096

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[(6-methylsulfanylpyrimidin-4-yl)amino]butan-1-ol?
The IUPAC name of 3,3-dimethyl-4-[(6-methylsulfanylpyrimidin-4-yl)amino]butan-1-ol (CID 106144784) is 3,3-dimethyl-4-[(6-methylsulfanylpyrimidin-4-yl)amino]butan-1-ol.
What is the SMILES notation for 3,3-dimethyl-4-[(6-methylsulfanylpyrimidin-4-yl)amino]butan-1-ol?
The canonical SMILES for 3,3-dimethyl-4-[(6-methylsulfanylpyrimidin-4-yl)amino]butan-1-ol is CSc1cc(NCC(C)(C)CCO)ncn1.
What is the InChIKey of 3,3-dimethyl-4-[(6-methylsulfanylpyrimidin-4-yl)amino]butan-1-ol?
The InChIKey is YWELYNHNQGZJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-11(2,4-5-15)7-12-9-6-10(16-3)14-8-13-9/h6,8,15H,4-5,7H2,1-3H3,(H,12,13,14).
What are the key properties of 3,3-dimethyl-4-[(6-methylsulfanylpyrimidin-4-yl)amino]butan-1-ol?
3,3-dimethyl-4-[(6-methylsulfanylpyrimidin-4-yl)amino]butan-1-ol has a molecular weight of 241.36 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[(6-methylsulfanylpyrimidin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 106144784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).