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

C10H20N6O — CID 62022584

IUPAC3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-propan-2-ylamino]propan-1-ol
SMILESCC(C)N(CCCO)Cc1nc(N)nc(N)n1
InChIInChI=1S/C10H20N6O/c1-7(2)16(4-3-5-17)6-8-13-9(11)15-10(12)14-8/h7,17H,3-6H2,1-2H3,(H4,11,12,13,14,15)
InChIKeyCJTSHSHMDDGYBE-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.37
Rot. Bonds6

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

3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-propan-2-ylamino]propan-1-ol (PubChem CID 62022584) has the molecular formula C10H20N6O and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-propan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-propan-2-ylamino]propan-1-ol
PubChem CID62022584
Molecular FormulaC10H20N6O
Molecular Weight240.31 g/mol
Exact Mass240.17
IUPAC Name3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-propan-2-ylamino]propan-1-ol
SMILESCC(C)N(CCCO)Cc1nc(N)nc(N)n1
InChIInChI=1S/C10H20N6O/c1-7(2)16(4-3-5-17)6-8-13-9(11)15-10(12)14-8/h7,17H,3-6H2,1-2H3,(H4,11,12,13,14,15)
InChIKeyCJTSHSHMDDGYBE-UHFFFAOYSA-N
XLogP-0.37
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

(3S,4S)-4-(dimethylamino)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidin-3-ol
CID 164633618
2-[4-Amino-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]ethanol
CID 90785234
3-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 111913487
3-[4-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-2,2-difluoropropan-1-ol
CID 131962944
2-[4-[1-[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]ethanol
CID 42926008
2,2'-((4-Amino-6-methoxy-1,3,5-triazin-2-yl)methylimino)diethanol
CID 587885
2-Amino-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethanol
CID 597559
3-Amino-3-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-1-propanol
CID 597562
3-[[4-(2-Hydroxyethylamino)-6-[(2-hydroxyethylamino)methyl]-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 130250712
(2S)-2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]butan-1-ol
CID 164099398
3-[[4-(3-Hydroxypropylamino)-6-methyl-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 22224
1-[1-[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-4-ol
CID 18124363

Frequently Asked Questions

What is the IUPAC name of 3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-propan-2-ylamino]propan-1-ol?
The IUPAC name of 3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-propan-2-ylamino]propan-1-ol (CID 62022584) is 3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-propan-2-ylamino]propan-1-ol.
What is the SMILES notation for 3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-propan-2-ylamino]propan-1-ol?
The canonical SMILES for 3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-propan-2-ylamino]propan-1-ol is CC(C)N(CCCO)Cc1nc(N)nc(N)n1.
What is the InChIKey of 3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-propan-2-ylamino]propan-1-ol?
The InChIKey is CJTSHSHMDDGYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6O/c1-7(2)16(4-3-5-17)6-8-13-9(11)15-10(12)14-8/h7,17H,3-6H2,1-2H3,(H4,11,12,13,14,15).
What are the key properties of 3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-propan-2-ylamino]propan-1-ol?
3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-propan-2-ylamino]propan-1-ol has a molecular weight of 240.31 g/mol, XLogP of -0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-propan-2-ylamino]propan-1-ol is sourced from PubChem (CID 62022584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).