N,N,N'-trimethyl-N'-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]ethane-1,2-diamine

C12H23N5 — CID 80657292

IUPACN,N,N'-trimethyl-N'-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]ethane-1,2-diamine
SMILESCNc1cc(C)nc(CN(C)CCN(C)C)n1
InChIInChI=1S/C12H23N5/c1-10-8-11(13-2)15-12(14-10)9-17(5)7-6-16(3)4/h8H,6-7,9H2,1-5H3,(H,13,14,15)
InChIKeyDIULMEUXNQXKHW-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.82
Rot. Bonds6

About N,N,N'-trimethyl-N'-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]ethane-1,2-diamine

N,N,N'-trimethyl-N'-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]ethane-1,2-diamine (PubChem CID 80657292) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]ethane-1,2-diamine
PubChem CID80657292
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC NameN,N,N'-trimethyl-N'-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]ethane-1,2-diamine
SMILESCNc1cc(C)nc(CN(C)CCN(C)C)n1
InChIInChI=1S/C12H23N5/c1-10-8-11(13-2)15-12(14-10)9-17(5)7-6-16(3)4/h8H,6-7,9H2,1-5H3,(H,13,14,15)
InChIKeyDIULMEUXNQXKHW-UHFFFAOYSA-N
XLogP0.82
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]ethane-1,2-diamine (CID 80657292) is N,N,N'-trimethyl-N'-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]ethane-1,2-diamine is CNc1cc(C)nc(CN(C)CCN(C)C)n1.
What is the InChIKey of N,N,N'-trimethyl-N'-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]ethane-1,2-diamine?
The InChIKey is DIULMEUXNQXKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-10-8-11(13-2)15-12(14-10)9-17(5)7-6-16(3)4/h8H,6-7,9H2,1-5H3,(H,13,14,15).
What are the key properties of N,N,N'-trimethyl-N'-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]ethane-1,2-diamine?
N,N,N'-trimethyl-N'-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]ethane-1,2-diamine has a molecular weight of 237.35 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 80657292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).