N-[2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]ethyl]acetamide

C10H17N5OS — CID 80788462

IUPACN-[2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]ethyl]acetamide
SMILESCNc1cc(NCCNC(C)=O)nc(SC)n1
InChIInChI=1S/C10H17N5OS/c1-7(16)12-4-5-13-9-6-8(11-2)14-10(15-9)17-3/h6H,4-5H2,1-3H3,(H,12,16)(H2,11,13,14,15)
InChIKeyOAJOXVSOBKFBNC-UHFFFAOYSA-N
MW255.35 g/mol
LogP0.79
Rot. Bonds6

About N-[2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]ethyl]acetamide

N-[2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]ethyl]acetamide (PubChem CID 80788462) has the molecular formula C10H17N5OS and a molecular weight of 255.35 g/mol. Its IUPAC name is N-[2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]ethyl]acetamide
PubChem CID80788462
Molecular FormulaC10H17N5OS
Molecular Weight255.35 g/mol
Exact Mass255.12
IUPAC NameN-[2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]ethyl]acetamide
SMILESCNc1cc(NCCNC(C)=O)nc(SC)n1
InChIInChI=1S/C10H17N5OS/c1-7(16)12-4-5-13-9-6-8(11-2)14-10(15-9)17-3/h6H,4-5H2,1-3H3,(H,12,16)(H2,11,13,14,15)
InChIKeyOAJOXVSOBKFBNC-UHFFFAOYSA-N
XLogP0.79
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]acetamide
CID 80967857
4-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butanamide
CID 80791948
methyl 3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propanoate
CID 80798105
6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine
CID 80765356
N-methyl-2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]acetamide
CID 80783801
4-N-decyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80838969
N-[2-[[6-(methylamino)-2-pyridinyl]amino]ethyl]acetamide
CID 80786842
4-N-(2-cyclopropylethyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80846727
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide
CID 45497026
6-N-methyl-2-methylsulfanyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine
CID 106433976
4-N-[2-(3,5-difluorophenyl)ethyl]-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80804289
6-N-methyl-2-methylsulfanyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 80773056

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]ethyl]acetamide (CID 80788462) is N-[2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]ethyl]acetamide is CNc1cc(NCCNC(C)=O)nc(SC)n1.
What is the InChIKey of N-[2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]ethyl]acetamide?
The InChIKey is OAJOXVSOBKFBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5OS/c1-7(16)12-4-5-13-9-6-8(11-2)14-10(15-9)17-3/h6H,4-5H2,1-3H3,(H,12,16)(H2,11,13,14,15).
What are the key properties of N-[2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]ethyl]acetamide?
N-[2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]ethyl]acetamide has a molecular weight of 255.35 g/mol, XLogP of 0.79, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]ethyl]acetamide is sourced from PubChem (CID 80788462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).