N'-[(2R)-2-[4-(dimethylamino)-5-methylpyrimidin-2-yl]oxyhex-5-enyl]-N,N,N'-trimethylethane-1,2-diamine

C18H33N5O — CID 95895362

IUPACN'-[(2R)-2-[4-(dimethylamino)-5-methylpyrimidin-2-yl]oxyhex-5-enyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESC=CCC[C@H](CN(C)CCN(C)C)Oc1ncc(C)c(N(C)C)n1
InChIInChI=1S/C18H33N5O/c1-8-9-10-16(14-23(7)12-11-21(3)4)24-18-19-13-15(2)17(20-18)22(5)6/h8,13,16H,1,9-12,14H2,2-7H3/t16-/m1/s1
InChIKeyUQPBPOPQBAEWAT-MRXNPFEDSA-N
MW335.50 g/mol
LogP2.06
Rot. Bonds11

About N'-[(2R)-2-[4-(dimethylamino)-5-methylpyrimidin-2-yl]oxyhex-5-enyl]-N,N,N'-trimethylethane-1,2-diamine

N'-[(2R)-2-[4-(dimethylamino)-5-methylpyrimidin-2-yl]oxyhex-5-enyl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 95895362) has the molecular formula C18H33N5O and a molecular weight of 335.50 g/mol. Its IUPAC name is N'-[(2R)-2-[4-(dimethylamino)-5-methylpyrimidin-2-yl]oxyhex-5-enyl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2R)-2-[4-(dimethylamino)-5-methylpyrimidin-2-yl]oxyhex-5-enyl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID95895362
Molecular FormulaC18H33N5O
Molecular Weight335.50 g/mol
Exact Mass335.27
IUPAC NameN'-[(2R)-2-[4-(dimethylamino)-5-methylpyrimidin-2-yl]oxyhex-5-enyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESC=CCC[C@H](CN(C)CCN(C)C)Oc1ncc(C)c(N(C)C)n1
InChIInChI=1S/C18H33N5O/c1-8-9-10-16(14-23(7)12-11-21(3)4)24-18-19-13-15(2)17(20-18)22(5)6/h8,13,16H,1,9-12,14H2,2-7H3/t16-/m1/s1
InChIKeyUQPBPOPQBAEWAT-MRXNPFEDSA-N
XLogP2.06
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-2-[4-(dimethylamino)-5-methylpyrimidin-2-yl]oxyhex-5-enyl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[(2R)-2-[4-(dimethylamino)-5-methylpyrimidin-2-yl]oxyhex-5-enyl]-N,N,N'-trimethylethane-1,2-diamine (CID 95895362) is N'-[(2R)-2-[4-(dimethylamino)-5-methylpyrimidin-2-yl]oxyhex-5-enyl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[(2R)-2-[4-(dimethylamino)-5-methylpyrimidin-2-yl]oxyhex-5-enyl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[(2R)-2-[4-(dimethylamino)-5-methylpyrimidin-2-yl]oxyhex-5-enyl]-N,N,N'-trimethylethane-1,2-diamine is C=CCC[C@H](CN(C)CCN(C)C)Oc1ncc(C)c(N(C)C)n1.
What is the InChIKey of N'-[(2R)-2-[4-(dimethylamino)-5-methylpyrimidin-2-yl]oxyhex-5-enyl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is UQPBPOPQBAEWAT-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H33N5O/c1-8-9-10-16(14-23(7)12-11-21(3)4)24-18-19-13-15(2)17(20-18)22(5)6/h8,13,16H,1,9-12,14H2,2-7H3/t16-/m1/s1.
What are the key properties of N'-[(2R)-2-[4-(dimethylamino)-5-methylpyrimidin-2-yl]oxyhex-5-enyl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[(2R)-2-[4-(dimethylamino)-5-methylpyrimidin-2-yl]oxyhex-5-enyl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 335.50 g/mol, XLogP of 2.06, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-2-[4-(dimethylamino)-5-methylpyrimidin-2-yl]oxyhex-5-enyl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 95895362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).