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

C12H22N6O — CID 164633618

IUPAC(3S,4S)-4-(dimethylamino)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidin-3-ol
SMILESCc1nc(N(C)C)nc(N2C[C@H](O)[C@@H](N(C)C)C2)n1
InChIInChI=1S/C12H22N6O/c1-8-13-11(17(4)5)15-12(14-8)18-6-9(16(2)3)10(19)7-18/h9-10,19H,6-7H2,1-5H3/t9-,10-/m0/s1
InChIKeyBJLJIXKWMDZJPZ-UWVGGRQHSA-N
MW266.35 g/mol
LogP-0.64
Rot. Bonds3

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

(3S,4S)-4-(dimethylamino)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidin-3-ol (PubChem CID 164633618) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is (3S,4S)-4-(dimethylamino)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-(dimethylamino)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidin-3-ol
PubChem CID164633618
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name(3S,4S)-4-(dimethylamino)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidin-3-ol
SMILESCc1nc(N(C)C)nc(N2C[C@H](O)[C@@H](N(C)C)C2)n1
InChIInChI=1S/C12H22N6O/c1-8-13-11(17(4)5)15-12(14-8)18-6-9(16(2)3)10(19)7-18/h9-10,19H,6-7H2,1-5H3/t9-,10-/m0/s1
InChIKeyBJLJIXKWMDZJPZ-UWVGGRQHSA-N
XLogP-0.64
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

1-[2-Methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-2-ol
CID 136528487
[(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
2-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-cyclopentylamino]ethanol
CID 62013891
[1-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 62014160
3-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl-propan-2-ylamino]propan-1-ol
CID 62022584
3-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-propan-2-ylamino]propan-1-ol
CID 62022778
1-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-methylamino]propan-2-ol
CID 62333227
1-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl-methylamino]propan-2-ol
CID 62335057
1-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-ol
CID 62917871

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(dimethylamino)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidin-3-ol?
The IUPAC name of (3S,4S)-4-(dimethylamino)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidin-3-ol (CID 164633618) is (3S,4S)-4-(dimethylamino)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-4-(dimethylamino)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-4-(dimethylamino)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidin-3-ol is Cc1nc(N(C)C)nc(N2C[C@H](O)[C@@H](N(C)C)C2)n1.
What is the InChIKey of (3S,4S)-4-(dimethylamino)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidin-3-ol?
The InChIKey is BJLJIXKWMDZJPZ-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H22N6O/c1-8-13-11(17(4)5)15-12(14-8)18-6-9(16(2)3)10(19)7-18/h9-10,19H,6-7H2,1-5H3/t9-,10-/m0/s1.
What are the key properties of (3S,4S)-4-(dimethylamino)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidin-3-ol?
(3S,4S)-4-(dimethylamino)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidin-3-ol has a molecular weight of 266.35 g/mol, XLogP of -0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(dimethylamino)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidin-3-ol is sourced from PubChem (CID 164633618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).