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

C12H21N5O — CID 114102497

IUPAC4-N-methyl-2-N-[(1-methylcyclopropyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NCC2(C)CC2)nc(OC(C)C)n1
InChIInChI=1S/C12H21N5O/c1-8(2)18-11-16-9(13-4)15-10(17-11)14-7-12(3)5-6-12/h8H,5-7H2,1-4H3,(H2,13,14,15,16,17)
InChIKeyMXABNRMEKCSJOV-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.91
Rot. Bonds6

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

4-N-methyl-2-N-[(1-methylcyclopropyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (PubChem CID 114102497) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-N-methyl-2-N-[(1-methylcyclopropyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-2-N-[(1-methylcyclopropyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
PubChem CID114102497
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name4-N-methyl-2-N-[(1-methylcyclopropyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NCC2(C)CC2)nc(OC(C)C)n1
InChIInChI=1S/C12H21N5O/c1-8(2)18-11-16-9(13-4)15-10(17-11)14-7-12(3)5-6-12/h8H,5-7H2,1-4H3,(H2,13,14,15,16,17)
InChIKeyMXABNRMEKCSJOV-UHFFFAOYSA-N
XLogP1.91
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-2-N-[(1-methylcyclopropyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-methyl-2-N-[(1-methylcyclopropyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (CID 114102497) is 4-N-methyl-2-N-[(1-methylcyclopropyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-2-N-[(1-methylcyclopropyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-methyl-2-N-[(1-methylcyclopropyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is CNc1nc(NCC2(C)CC2)nc(OC(C)C)n1.
What is the InChIKey of 4-N-methyl-2-N-[(1-methylcyclopropyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The InChIKey is MXABNRMEKCSJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-8(2)18-11-16-9(13-4)15-10(17-11)14-7-12(3)5-6-12/h8H,5-7H2,1-4H3,(H2,13,14,15,16,17).
What are the key properties of 4-N-methyl-2-N-[(1-methylcyclopropyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
4-N-methyl-2-N-[(1-methylcyclopropyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine has a molecular weight of 251.33 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-2-N-[(1-methylcyclopropyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 114102497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).