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

C7H13N5O — CID 130532657

IUPAC1-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]propan-2-ol
SMILESCc1nc(N)nc(NCC(C)O)n1
InChIInChI=1S/C7H13N5O/c1-4(13)3-9-7-11-5(2)10-6(8)12-7/h4,13H,3H2,1-2H3,(H3,8,9,10,11,12)
InChIKeyOSMNOMPLGVVOJE-UHFFFAOYSA-N
MW183.22 g/mol
LogP-0.45
Rot. Bonds3

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

1-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]propan-2-ol (PubChem CID 130532657) has the molecular formula C7H13N5O and a molecular weight of 183.22 g/mol. Its IUPAC name is 1-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]propan-2-ol
PubChem CID130532657
Molecular FormulaC7H13N5O
Molecular Weight183.22 g/mol
Exact Mass183.11
IUPAC Name1-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]propan-2-ol
SMILESCc1nc(N)nc(NCC(C)O)n1
InChIInChI=1S/C7H13N5O/c1-4(13)3-9-7-11-5(2)10-6(8)12-7/h4,13H,3H2,1-2H3,(H3,8,9,10,11,12)
InChIKeyOSMNOMPLGVVOJE-UHFFFAOYSA-N
XLogP-0.45
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.22
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]propan-2-ol?
The IUPAC name of 1-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]propan-2-ol (CID 130532657) is 1-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]propan-2-ol?
The canonical SMILES for 1-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]propan-2-ol is Cc1nc(N)nc(NCC(C)O)n1.
What is the InChIKey of 1-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]propan-2-ol?
The InChIKey is OSMNOMPLGVVOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c1-4(13)3-9-7-11-5(2)10-6(8)12-7/h4,13H,3H2,1-2H3,(H3,8,9,10,11,12).
What are the key properties of 1-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]propan-2-ol?
1-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]propan-2-ol has a molecular weight of 183.22 g/mol, XLogP of -0.45, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]propan-2-ol is sourced from PubChem (CID 130532657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).