N,N,N',N'-tetramethyl-N"-pyridin-3-yl-N"-pyrimidin-5-ylmethanetriamine

C14H20N6 — CID 118360199

IUPACN,N,N',N'-tetramethyl-N"-pyridin-3-yl-N"-pyrimidin-5-ylmethanetriamine
SMILESCN(C)C(N(C)C)N(c1cccnc1)c1cncnc1
InChIInChI=1S/C14H20N6/c1-18(2)14(19(3)4)20(12-6-5-7-15-8-12)13-9-16-11-17-10-13/h5-11,14H,1-4H3
InChIKeyLBANYIGHHCDSDL-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.42
Rot. Bonds5

About N,N,N',N'-tetramethyl-N"-pyridin-3-yl-N"-pyrimidin-5-ylmethanetriamine

N,N,N',N'-tetramethyl-N"-pyridin-3-yl-N"-pyrimidin-5-ylmethanetriamine (PubChem CID 118360199) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is N,N,N',N'-tetramethyl-N"-pyridin-3-yl-N"-pyrimidin-5-ylmethanetriamine.

Molecular Properties

Compound NameN,N,N',N'-tetramethyl-N"-pyridin-3-yl-N"-pyrimidin-5-ylmethanetriamine
PubChem CID118360199
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC NameN,N,N',N'-tetramethyl-N"-pyridin-3-yl-N"-pyrimidin-5-ylmethanetriamine
SMILESCN(C)C(N(C)C)N(c1cccnc1)c1cncnc1
InChIInChI=1S/C14H20N6/c1-18(2)14(19(3)4)20(12-6-5-7-15-8-12)13-9-16-11-17-10-13/h5-11,14H,1-4H3
InChIKeyLBANYIGHHCDSDL-UHFFFAOYSA-N
XLogP1.42
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetramethyl-N"-pyridin-3-yl-N"-pyrimidin-5-ylmethanetriamine?
The IUPAC name of N,N,N',N'-tetramethyl-N"-pyridin-3-yl-N"-pyrimidin-5-ylmethanetriamine (CID 118360199) is N,N,N',N'-tetramethyl-N"-pyridin-3-yl-N"-pyrimidin-5-ylmethanetriamine.
What is the SMILES notation for N,N,N',N'-tetramethyl-N"-pyridin-3-yl-N"-pyrimidin-5-ylmethanetriamine?
The canonical SMILES for N,N,N',N'-tetramethyl-N"-pyridin-3-yl-N"-pyrimidin-5-ylmethanetriamine is CN(C)C(N(C)C)N(c1cccnc1)c1cncnc1.
What is the InChIKey of N,N,N',N'-tetramethyl-N"-pyridin-3-yl-N"-pyrimidin-5-ylmethanetriamine?
The InChIKey is LBANYIGHHCDSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-18(2)14(19(3)4)20(12-6-5-7-15-8-12)13-9-16-11-17-10-13/h5-11,14H,1-4H3.
What are the key properties of N,N,N',N'-tetramethyl-N"-pyridin-3-yl-N"-pyrimidin-5-ylmethanetriamine?
N,N,N',N'-tetramethyl-N"-pyridin-3-yl-N"-pyrimidin-5-ylmethanetriamine has a molecular weight of 272.36 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetramethyl-N"-pyridin-3-yl-N"-pyrimidin-5-ylmethanetriamine is sourced from PubChem (CID 118360199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).