2-N-[(3-methylcyclopentyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine

C13H23N5O — CID 107415895

IUPAC2-N-[(3-methylcyclopentyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCC1CCC(CNc2nc(N)nc(OC(C)C)n2)C1
InChIInChI=1S/C13H23N5O/c1-8(2)19-13-17-11(14)16-12(18-13)15-7-10-5-4-9(3)6-10/h8-10H,4-7H2,1-3H3,(H3,14,15,16,17,18)
InChIKeyBSUDHNUJOBWLSA-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.09
Rot. Bonds5

About 2-N-[(3-methylcyclopentyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine

2-N-[(3-methylcyclopentyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (PubChem CID 107415895) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-N-[(3-methylcyclopentyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(3-methylcyclopentyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
PubChem CID107415895
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-N-[(3-methylcyclopentyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCC1CCC(CNc2nc(N)nc(OC(C)C)n2)C1
InChIInChI=1S/C13H23N5O/c1-8(2)19-13-17-11(14)16-12(18-13)15-7-10-5-4-9(3)6-10/h8-10H,4-7H2,1-3H3,(H3,14,15,16,17,18)
InChIKeyBSUDHNUJOBWLSA-UHFFFAOYSA-N
XLogP2.09
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-methylcyclopentyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[(3-methylcyclopentyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (CID 107415895) is 2-N-[(3-methylcyclopentyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(3-methylcyclopentyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(3-methylcyclopentyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is CC1CCC(CNc2nc(N)nc(OC(C)C)n2)C1.
What is the InChIKey of 2-N-[(3-methylcyclopentyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The InChIKey is BSUDHNUJOBWLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-8(2)19-13-17-11(14)16-12(18-13)15-7-10-5-4-9(3)6-10/h8-10H,4-7H2,1-3H3,(H3,14,15,16,17,18).
What are the key properties of 2-N-[(3-methylcyclopentyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
2-N-[(3-methylcyclopentyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine has a molecular weight of 265.36 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-methylcyclopentyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 107415895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).