[1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]pyrrolidin-3-yl]methanol

C12H22N6O — CID 111543613

IUPAC[1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]pyrrolidin-3-yl]methanol
SMILESCC(c1nc(N)nc(N(C)C)n1)N1CCC(CO)C1
InChIInChI=1S/C12H22N6O/c1-8(18-5-4-9(6-18)7-19)10-14-11(13)16-12(15-10)17(2)3/h8-9,19H,4-7H2,1-3H3,(H2,13,14,15,16)
InChIKeyCREAUWTXHIISSH-UHFFFAOYSA-N
MW266.35 g/mol
LogP-0.10
Rot. Bonds4

About [1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]pyrrolidin-3-yl]methanol

[1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]pyrrolidin-3-yl]methanol (PubChem CID 111543613) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is [1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]pyrrolidin-3-yl]methanol
PubChem CID111543613
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name[1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]pyrrolidin-3-yl]methanol
SMILESCC(c1nc(N)nc(N(C)C)n1)N1CCC(CO)C1
InChIInChI=1S/C12H22N6O/c1-8(18-5-4-9(6-18)7-19)10-14-11(13)16-12(15-10)17(2)3/h8-9,19H,4-7H2,1-3H3,(H2,13,14,15,16)
InChIKeyCREAUWTXHIISSH-UHFFFAOYSA-N
XLogP-0.10
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]pyrrolidin-3-yl]methanol with MolForge

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Related Compounds

6-[[ethyl(oxolan-3-ylmethyl)amino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 71859909
3-Amino-3-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-1-propanol
CID 597562
[1-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-3-yl]methanol
CID 55064655
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-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-yl]methanol
CID 62372619
3-[1-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]propan-1-ol
CID 62467465
1-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-3-ol
CID 62918364
(3S)-1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-3-ol
CID 64196042
1-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66051280
1-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66053963
6-[[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 97099666

Frequently Asked Questions

What is the IUPAC name of [1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]pyrrolidin-3-yl]methanol (CID 111543613) is [1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]pyrrolidin-3-yl]methanol is CC(c1nc(N)nc(N(C)C)n1)N1CCC(CO)C1.
What is the InChIKey of [1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]pyrrolidin-3-yl]methanol?
The InChIKey is CREAUWTXHIISSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-8(18-5-4-9(6-18)7-19)10-14-11(13)16-12(15-10)17(2)3/h8-9,19H,4-7H2,1-3H3,(H2,13,14,15,16).
What are the key properties of [1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]pyrrolidin-3-yl]methanol?
[1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]pyrrolidin-3-yl]methanol has a molecular weight of 266.35 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 111543613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).