4-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butanamide

C10H17N5OS — CID 80791948

IUPAC4-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butanamide
SMILESCNc1cc(NCCCC(N)=O)nc(SC)n1
InChIInChI=1S/C10H17N5OS/c1-12-8-6-9(15-10(14-8)17-2)13-5-3-4-7(11)16/h6H,3-5H2,1-2H3,(H2,11,16)(H2,12,13,14,15)
InChIKeyQTLQORVAFYUKSK-UHFFFAOYSA-N
MW255.35 g/mol
LogP0.92
Rot. Bonds7

About 4-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butanamide

4-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butanamide (PubChem CID 80791948) has the molecular formula C10H17N5OS and a molecular weight of 255.35 g/mol. Its IUPAC name is 4-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butanamide.

Molecular Properties

Compound Name4-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butanamide
PubChem CID80791948
Molecular FormulaC10H17N5OS
Molecular Weight255.35 g/mol
Exact Mass255.12
IUPAC Name4-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butanamide
SMILESCNc1cc(NCCCC(N)=O)nc(SC)n1
InChIInChI=1S/C10H17N5OS/c1-12-8-6-9(15-10(14-8)17-2)13-5-3-4-7(11)16/h6H,3-5H2,1-2H3,(H2,11,16)(H2,12,13,14,15)
InChIKeyQTLQORVAFYUKSK-UHFFFAOYSA-N
XLogP0.92
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 50.92
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

methyl 3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propanoate
CID 80798105
N-[2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]ethyl]acetamide
CID 80788462
4-N-decyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80838969
5-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]pentanamide
CID 106241594
3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]propanamide
CID 80545317
6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine
CID 80765356
5-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]pentanamide
CID 106241630
N-methyl-2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]acetamide
CID 80783801
5-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentanamide
CID 106241553
4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butanamide
CID 80790862
4-N-(2-cyclopropylethyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80846727
4-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butanamide
CID 80933799

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butanamide?
The IUPAC name of 4-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butanamide (CID 80791948) is 4-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butanamide.
What is the SMILES notation for 4-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butanamide?
The canonical SMILES for 4-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butanamide is CNc1cc(NCCCC(N)=O)nc(SC)n1.
What is the InChIKey of 4-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butanamide?
The InChIKey is QTLQORVAFYUKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5OS/c1-12-8-6-9(15-10(14-8)17-2)13-5-3-4-7(11)16/h6H,3-5H2,1-2H3,(H2,11,16)(H2,12,13,14,15).
What are the key properties of 4-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butanamide?
4-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butanamide has a molecular weight of 255.35 g/mol, XLogP of 0.92, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butanamide is sourced from PubChem (CID 80791948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).