N,N,5-trimethyl-2-[1-[methyl(pyridin-3-ylmethyl)amino]hex-5-en-2-yloxy]pyrimidin-4-amine

C20H29N5O — CID 56885475

IUPACN,N,5-trimethyl-2-[1-[methyl(pyridin-3-ylmethyl)amino]hex-5-en-2-yloxy]pyrimidin-4-amine
SMILESC=CCCC(CN(C)Cc1cccnc1)Oc1ncc(C)c(N(C)C)n1
InChIInChI=1S/C20H29N5O/c1-6-7-10-18(15-25(5)14-17-9-8-11-21-13-17)26-20-22-12-16(2)19(23-20)24(3)4/h6,8-9,11-13,18H,1,7,10,14-15H2,2-5H3
InChIKeyDFSUACIMHCNJSP-UHFFFAOYSA-N
MW355.49 g/mol
LogP3.09
Rot. Bonds10

About N,N,5-trimethyl-2-[1-[methyl(pyridin-3-ylmethyl)amino]hex-5-en-2-yloxy]pyrimidin-4-amine

N,N,5-trimethyl-2-[1-[methyl(pyridin-3-ylmethyl)amino]hex-5-en-2-yloxy]pyrimidin-4-amine (PubChem CID 56885475) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is N,N,5-trimethyl-2-[1-[methyl(pyridin-3-ylmethyl)amino]hex-5-en-2-yloxy]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N,5-trimethyl-2-[1-[methyl(pyridin-3-ylmethyl)amino]hex-5-en-2-yloxy]pyrimidin-4-amine
PubChem CID56885475
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC NameN,N,5-trimethyl-2-[1-[methyl(pyridin-3-ylmethyl)amino]hex-5-en-2-yloxy]pyrimidin-4-amine
SMILESC=CCCC(CN(C)Cc1cccnc1)Oc1ncc(C)c(N(C)C)n1
InChIInChI=1S/C20H29N5O/c1-6-7-10-18(15-25(5)14-17-9-8-11-21-13-17)26-20-22-12-16(2)19(23-20)24(3)4/h6,8-9,11-13,18H,1,7,10,14-15H2,2-5H3
InChIKeyDFSUACIMHCNJSP-UHFFFAOYSA-N
XLogP3.09
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.09
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,N,5-trimethyl-2-[1-[methyl(pyridin-3-ylmethyl)amino]hex-5-en-2-yloxy]pyrimidin-4-amine?
The IUPAC name of N,N,5-trimethyl-2-[1-[methyl(pyridin-3-ylmethyl)amino]hex-5-en-2-yloxy]pyrimidin-4-amine (CID 56885475) is N,N,5-trimethyl-2-[1-[methyl(pyridin-3-ylmethyl)amino]hex-5-en-2-yloxy]pyrimidin-4-amine.
What is the SMILES notation for N,N,5-trimethyl-2-[1-[methyl(pyridin-3-ylmethyl)amino]hex-5-en-2-yloxy]pyrimidin-4-amine?
The canonical SMILES for N,N,5-trimethyl-2-[1-[methyl(pyridin-3-ylmethyl)amino]hex-5-en-2-yloxy]pyrimidin-4-amine is C=CCCC(CN(C)Cc1cccnc1)Oc1ncc(C)c(N(C)C)n1.
What is the InChIKey of N,N,5-trimethyl-2-[1-[methyl(pyridin-3-ylmethyl)amino]hex-5-en-2-yloxy]pyrimidin-4-amine?
The InChIKey is DFSUACIMHCNJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-6-7-10-18(15-25(5)14-17-9-8-11-21-13-17)26-20-22-12-16(2)19(23-20)24(3)4/h6,8-9,11-13,18H,1,7,10,14-15H2,2-5H3.
What are the key properties of N,N,5-trimethyl-2-[1-[methyl(pyridin-3-ylmethyl)amino]hex-5-en-2-yloxy]pyrimidin-4-amine?
N,N,5-trimethyl-2-[1-[methyl(pyridin-3-ylmethyl)amino]hex-5-en-2-yloxy]pyrimidin-4-amine has a molecular weight of 355.49 g/mol, XLogP of 3.09, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-trimethyl-2-[1-[methyl(pyridin-3-ylmethyl)amino]hex-5-en-2-yloxy]pyrimidin-4-amine is sourced from PubChem (CID 56885475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).