N-[2-methyl-4-(methylamino)-6-methylsulfanylpyrimidin-5-yl]formamide

C8H12N4OS — CID 171384369

IUPACN-[2-methyl-4-(methylamino)-6-methylsulfanylpyrimidin-5-yl]formamide
SMILESCNc1nc(C)nc(SC)c1NC=O
InChIInChI=1S/C8H12N4OS/c1-5-11-7(9-2)6(10-4-13)8(12-5)14-3/h4H,1-3H3,(H,10,13)(H,9,11,12)
InChIKeyRLVQPOCMRIZVPT-UHFFFAOYSA-N
MW212.28 g/mol
LogP1.12
Rot. Bonds4

About N-[2-methyl-4-(methylamino)-6-methylsulfanylpyrimidin-5-yl]formamide

N-[2-methyl-4-(methylamino)-6-methylsulfanylpyrimidin-5-yl]formamide (PubChem CID 171384369) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is N-[2-methyl-4-(methylamino)-6-methylsulfanylpyrimidin-5-yl]formamide.

Molecular Properties

Compound NameN-[2-methyl-4-(methylamino)-6-methylsulfanylpyrimidin-5-yl]formamide
PubChem CID171384369
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC NameN-[2-methyl-4-(methylamino)-6-methylsulfanylpyrimidin-5-yl]formamide
SMILESCNc1nc(C)nc(SC)c1NC=O
InChIInChI=1S/C8H12N4OS/c1-5-11-7(9-2)6(10-4-13)8(12-5)14-3/h4H,1-3H3,(H,10,13)(H,9,11,12)
InChIKeyRLVQPOCMRIZVPT-UHFFFAOYSA-N
XLogP1.12
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Pyrimidine, 5-formamido-4,6-bismethylamino-2-methylthio-
CID 23423805
Pyrimidine, 5-amino-2-methyl-4-methylamino-6-methylthio-
CID 86178802
5-Pyrimidinamine, 2-methyl-4,6-bis(methylthio)-
CID 10726765
N-[4-(diethylamino)-2-methyl-6-methylsulfanylpyrimidin-5-yl]acetamide
CID 20085321
2-bromo-N-[4-(diethylamino)-2-methyl-6-methylsulfanylpyrimidin-5-yl]acetamide
CID 20085407
4-N,4-N-diethyl-2-methyl-6-methylsulfanylpyrimidine-4,5-diamine
CID 20085410
N-[4-(diethylamino)-2-methyl-6-methylsulfanylpyrimidin-5-yl]-2-(dipropylamino)acetamide
CID 20085424
2-bromo-N-[2-methyl-4,6-bis(methylsulfanyl)pyrimidin-5-yl]acetamide
CID 20085467
N-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-4,6-bis(methylsulfanyl)pyrimidin-5-amine
CID 20545082
5-Isocyanato-2-methyl-4,6-bis(methylsulfanyl)pyrimidine
CID 23355205
4-N,4-N-diethyl-6-(methoxymethylsulfanyl)pyrimidine-4,5-diamine
CID 54099224
N-[2-chloro-4-(diethylamino)-6-methylsulfanylpyrimidin-5-yl]acetamide
CID 88767578

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(methylamino)-6-methylsulfanylpyrimidin-5-yl]formamide?
The IUPAC name of N-[2-methyl-4-(methylamino)-6-methylsulfanylpyrimidin-5-yl]formamide (CID 171384369) is N-[2-methyl-4-(methylamino)-6-methylsulfanylpyrimidin-5-yl]formamide.
What is the SMILES notation for N-[2-methyl-4-(methylamino)-6-methylsulfanylpyrimidin-5-yl]formamide?
The canonical SMILES for N-[2-methyl-4-(methylamino)-6-methylsulfanylpyrimidin-5-yl]formamide is CNc1nc(C)nc(SC)c1NC=O.
What is the InChIKey of N-[2-methyl-4-(methylamino)-6-methylsulfanylpyrimidin-5-yl]formamide?
The InChIKey is RLVQPOCMRIZVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS/c1-5-11-7(9-2)6(10-4-13)8(12-5)14-3/h4H,1-3H3,(H,10,13)(H,9,11,12).
What are the key properties of N-[2-methyl-4-(methylamino)-6-methylsulfanylpyrimidin-5-yl]formamide?
N-[2-methyl-4-(methylamino)-6-methylsulfanylpyrimidin-5-yl]formamide has a molecular weight of 212.28 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(methylamino)-6-methylsulfanylpyrimidin-5-yl]formamide is sourced from PubChem (CID 171384369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).