2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-N-methylacetamide

C10H17N7O — CID 80784562

IUPAC2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-N-methylacetamide
SMILESCNC(=O)CNc1nc(N)nc(N2CCCC2)n1
InChIInChI=1S/C10H17N7O/c1-12-7(18)6-13-9-14-8(11)15-10(16-9)17-4-2-3-5-17/h2-6H2,1H3,(H,12,18)(H3,11,13,14,15,16)
InChIKeyCLSAHBCPNZDBAW-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.79
Rot. Bonds4

About 2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-N-methylacetamide

2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-N-methylacetamide (PubChem CID 80784562) has the molecular formula C10H17N7O and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-N-methylacetamide
PubChem CID80784562
Molecular FormulaC10H17N7O
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-N-methylacetamide
SMILESCNC(=O)CNc1nc(N)nc(N2CCCC2)n1
InChIInChI=1S/C10H17N7O/c1-12-7(18)6-13-9-14-8(11)15-10(16-9)17-4-2-3-5-17/h2-6H2,1H3,(H,12,18)(H3,11,13,14,15,16)
InChIKeyCLSAHBCPNZDBAW-UHFFFAOYSA-N
XLogP-0.79
TPSA109.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N-methylacetamide
CID 80783513
2-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770376
methyl 3-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]propanoate
CID 80798765
2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N-methylpropanamide
CID 80804171
3-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol
CID 80841852
N-ethyl-2-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]acetamide
CID 80906845
2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-N-methylacetamide
CID 80779307
N-cyclopropyl-2-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]acetamide
CID 80775829
2-N-(2-methylpropyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80769665
2-N-(2-methylsulfonylethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80791674
2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]acetic acid
CID 4767455
2-N-[4-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]butyl]-1,3,5-triazine-2,4,6-triamine
CID 139460803

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-N-methylacetamide?
The IUPAC name of 2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-N-methylacetamide (CID 80784562) is 2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-N-methylacetamide.
What is the SMILES notation for 2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-N-methylacetamide?
The canonical SMILES for 2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-N-methylacetamide is CNC(=O)CNc1nc(N)nc(N2CCCC2)n1.
What is the InChIKey of 2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-N-methylacetamide?
The InChIKey is CLSAHBCPNZDBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N7O/c1-12-7(18)6-13-9-14-8(11)15-10(16-9)17-4-2-3-5-17/h2-6H2,1H3,(H,12,18)(H3,11,13,14,15,16).
What are the key properties of 2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-N-methylacetamide?
2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-N-methylacetamide has a molecular weight of 251.29 g/mol, XLogP of -0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-N-methylacetamide is sourced from PubChem (CID 80784562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).