2-methyl-2-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propanamide

C12H21N7O — CID 80819410

IUPAC2-methyl-2-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propanamide
SMILESCNc1nc(NC(C)(C)C(N)=O)nc(N2CCCC2)n1
InChIInChI=1S/C12H21N7O/c1-12(2,8(13)20)18-10-15-9(14-3)16-11(17-10)19-6-4-5-7-19/h4-7H2,1-3H3,(H2,13,20)(H2,14,15,16,17,18)
InChIKeyRYYJFYCQRBYVJS-UHFFFAOYSA-N
MW279.35 g/mol
LogP0.19
Rot. Bonds5

About 2-methyl-2-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propanamide

2-methyl-2-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propanamide (PubChem CID 80819410) has the molecular formula C12H21N7O and a molecular weight of 279.35 g/mol. Its IUPAC name is 2-methyl-2-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propanamide.

Molecular Properties

Compound Name2-methyl-2-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propanamide
PubChem CID80819410
Molecular FormulaC12H21N7O
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC Name2-methyl-2-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propanamide
SMILESCNc1nc(NC(C)(C)C(N)=O)nc(N2CCCC2)n1
InChIInChI=1S/C12H21N7O/c1-12(2,8(13)20)18-10-15-9(14-3)16-11(17-10)19-6-4-5-7-19/h4-7H2,1-3H3,(H2,13,20)(H2,14,15,16,17,18)
InChIKeyRYYJFYCQRBYVJS-UHFFFAOYSA-N
XLogP0.19
TPSA109.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-2-methylpropanamide
CID 80794641
5-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]pentanamide
CID 106241670
2,2-dimethyl-3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 115366480
N-tert-butyl-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 974630
4-N-methyl-6-piperidin-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80785798
2-methyl-1-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]butan-2-ol
CID 80842795
N-cyclopropyl-2-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]acetamide
CID 80775829
2-methyl-3-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propane-1,2-diol
CID 80833190
2-methyl-2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]propanamide
CID 80819069
2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]acetamide
CID 80769709
2-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]ethanesulfonamide
CID 80773807
2-N,4-N,4-N-trimethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80764986

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propanamide?
The IUPAC name of 2-methyl-2-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propanamide (CID 80819410) is 2-methyl-2-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propanamide.
What is the SMILES notation for 2-methyl-2-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propanamide?
The canonical SMILES for 2-methyl-2-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propanamide is CNc1nc(NC(C)(C)C(N)=O)nc(N2CCCC2)n1.
What is the InChIKey of 2-methyl-2-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propanamide?
The InChIKey is RYYJFYCQRBYVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N7O/c1-12(2,8(13)20)18-10-15-9(14-3)16-11(17-10)19-6-4-5-7-19/h4-7H2,1-3H3,(H2,13,20)(H2,14,15,16,17,18).
What are the key properties of 2-methyl-2-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propanamide?
2-methyl-2-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propanamide has a molecular weight of 279.35 g/mol, XLogP of 0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propanamide is sourced from PubChem (CID 80819410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).