6-methoxy-2-N,2-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;6-methoxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine

C20H38N10O2 — CID 67912771

IUPAC6-methoxy-2-N,2-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;6-methoxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(N(C(C)C)C(C)C)n1.COc1nc(NC(C)C)nc(NC(C)C)n1
InChIInChI=1S/2C10H19N5O/c1-6(2)15(7(3)4)9-12-8(11)13-10(14-9)16-5;1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14);6-7H,1-5H3,(H2,11,12,13,14,15)
InChIKeyMPQFHCBIPVOYDM-UHFFFAOYSA-N
MW450.59 g/mol
LogP2.61
Rot. Bonds9

About 6-methoxy-2-N,2-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;6-methoxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine

6-methoxy-2-N,2-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;6-methoxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 67912771) has the molecular formula C20H38N10O2 and a molecular weight of 450.59 g/mol. Its IUPAC name is 6-methoxy-2-N,2-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;6-methoxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methoxy-2-N,2-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;6-methoxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID67912771
Molecular FormulaC20H38N10O2
Molecular Weight450.59 g/mol
Exact Mass450.32
IUPAC Name6-methoxy-2-N,2-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;6-methoxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(N(C(C)C)C(C)C)n1.COc1nc(NC(C)C)nc(NC(C)C)n1
InChIInChI=1S/2C10H19N5O/c1-6(2)15(7(3)4)9-12-8(11)13-10(14-9)16-5;1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14);6-7H,1-5H3,(H2,11,12,13,14,15)
InChIKeyMPQFHCBIPVOYDM-UHFFFAOYSA-N
XLogP2.61
TPSA149.12 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.59
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N,2-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;6-methoxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methoxy-2-N,2-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;6-methoxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine (CID 67912771) is 6-methoxy-2-N,2-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;6-methoxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methoxy-2-N,2-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;6-methoxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methoxy-2-N,2-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;6-methoxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine is COc1nc(N)nc(N(C(C)C)C(C)C)n1.COc1nc(NC(C)C)nc(NC(C)C)n1.
What is the InChIKey of 6-methoxy-2-N,2-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;6-methoxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is MPQFHCBIPVOYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H19N5O/c1-6(2)15(7(3)4)9-12-8(11)13-10(14-9)16-5;1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14);6-7H,1-5H3,(H2,11,12,13,14,15).
What are the key properties of 6-methoxy-2-N,2-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;6-methoxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine?
6-methoxy-2-N,2-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;6-methoxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 450.59 g/mol, XLogP of 2.61, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N,2-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;6-methoxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 67912771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).