3-(aminomethyl)-4-[(5-methylsulfanylpyrimidin-2-yl)amino]butanamide

C10H17N5OS — CID 154604187

IUPAC3-(aminomethyl)-4-[(5-methylsulfanylpyrimidin-2-yl)amino]butanamide
SMILESCSc1cnc(NCC(CN)CC(N)=O)nc1
InChIInChI=1S/C10H17N5OS/c1-17-8-5-14-10(15-6-8)13-4-7(3-11)2-9(12)16/h5-7H,2-4,11H2,1H3,(H2,12,16)(H,13,14,15)
InChIKeyGEMMYEDPRZHXES-UHFFFAOYSA-N
MW255.35 g/mol
LogP0.06
Rot. Bonds7

About 3-(aminomethyl)-4-[(5-methylsulfanylpyrimidin-2-yl)amino]butanamide

3-(aminomethyl)-4-[(5-methylsulfanylpyrimidin-2-yl)amino]butanamide (PubChem CID 154604187) has the molecular formula C10H17N5OS and a molecular weight of 255.35 g/mol. Its IUPAC name is 3-(aminomethyl)-4-[(5-methylsulfanylpyrimidin-2-yl)amino]butanamide.

Molecular Properties

Compound Name3-(aminomethyl)-4-[(5-methylsulfanylpyrimidin-2-yl)amino]butanamide
PubChem CID154604187
Molecular FormulaC10H17N5OS
Molecular Weight255.35 g/mol
Exact Mass255.12
IUPAC Name3-(aminomethyl)-4-[(5-methylsulfanylpyrimidin-2-yl)amino]butanamide
SMILESCSc1cnc(NCC(CN)CC(N)=O)nc1
InChIInChI=1S/C10H17N5OS/c1-17-8-5-14-10(15-6-8)13-4-7(3-11)2-9(12)16/h5-7H,2-4,11H2,1H3,(H2,12,16)(H,13,14,15)
InChIKeyGEMMYEDPRZHXES-UHFFFAOYSA-N
XLogP0.06
TPSA106.92 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 ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-[(5-methylsulfanylpyrimidin-2-yl)amino]butanamide?
The IUPAC name of 3-(aminomethyl)-4-[(5-methylsulfanylpyrimidin-2-yl)amino]butanamide (CID 154604187) is 3-(aminomethyl)-4-[(5-methylsulfanylpyrimidin-2-yl)amino]butanamide.
What is the SMILES notation for 3-(aminomethyl)-4-[(5-methylsulfanylpyrimidin-2-yl)amino]butanamide?
The canonical SMILES for 3-(aminomethyl)-4-[(5-methylsulfanylpyrimidin-2-yl)amino]butanamide is CSc1cnc(NCC(CN)CC(N)=O)nc1.
What is the InChIKey of 3-(aminomethyl)-4-[(5-methylsulfanylpyrimidin-2-yl)amino]butanamide?
The InChIKey is GEMMYEDPRZHXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5OS/c1-17-8-5-14-10(15-6-8)13-4-7(3-11)2-9(12)16/h5-7H,2-4,11H2,1H3,(H2,12,16)(H,13,14,15).
What are the key properties of 3-(aminomethyl)-4-[(5-methylsulfanylpyrimidin-2-yl)amino]butanamide?
3-(aminomethyl)-4-[(5-methylsulfanylpyrimidin-2-yl)amino]butanamide has a molecular weight of 255.35 g/mol, XLogP of 0.06, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-[(5-methylsulfanylpyrimidin-2-yl)amino]butanamide is sourced from PubChem (CID 154604187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).