1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol

C11H21N7O — CID 66051280

IUPAC1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1Cc1nc(N)nc(N)n1
InChIInChI=1S/C11H21N7O/c1-17(2)4-7-3-8(19)5-18(7)6-9-14-10(12)16-11(13)15-9/h7-8,19H,3-6H2,1-2H3,(H4,12,13,14,15,16)
InChIKeyYOMFUCKSWNJVGH-UHFFFAOYSA-N
MW267.34 g/mol
LogP-1.47
Rot. Bonds4

About 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol

1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol (PubChem CID 66051280) has the molecular formula C11H21N7O and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
PubChem CID66051280
Molecular FormulaC11H21N7O
Molecular Weight267.34 g/mol
Exact Mass267.18
IUPAC Name1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1Cc1nc(N)nc(N)n1
InChIInChI=1S/C11H21N7O/c1-17(2)4-7-3-8(19)5-18(7)6-9-14-10(12)16-11(13)15-9/h7-8,19H,3-6H2,1-2H3,(H4,12,13,14,15,16)
InChIKeyYOMFUCKSWNJVGH-UHFFFAOYSA-N
XLogP-1.47
TPSA117.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4S)-4-(dimethylamino)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidin-3-ol
CID 164633618
1-[1-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol
CID 75494805
(1S)-1-[(2R)-1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol
CID 97787534
(1S)-1-[(2S)-1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol
CID 97787535
(1R)-1-[(2R)-1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol
CID 100083260
(1R)-1-[(2S)-1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol
CID 100083264
[(2S)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol
CID 59474217
[1-[4-(Dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol
CID 70672914
[1-(4,6-Dimethyl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol
CID 70907635
[(2S)-1-(4,6-dimethyl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol
CID 70907637
1-[1-[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-4-ol
CID 18124363
1-[1-[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-3-ol
CID 47129740

Frequently Asked Questions

What is the IUPAC name of 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol (CID 66051280) is 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol is CN(C)CC1CC(O)CN1Cc1nc(N)nc(N)n1.
What is the InChIKey of 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The InChIKey is YOMFUCKSWNJVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N7O/c1-17(2)4-7-3-8(19)5-18(7)6-9-14-10(12)16-11(13)15-9/h7-8,19H,3-6H2,1-2H3,(H4,12,13,14,15,16).
What are the key properties of 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol has a molecular weight of 267.34 g/mol, XLogP of -1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66051280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).