4,6-dimethyl-N-(3-pyridin-3-yloxypropyl)pyrimidin-2-amine

C14H18N4O — CID 50970939

IUPAC4,6-dimethyl-N-(3-pyridin-3-yloxypropyl)pyrimidin-2-amine
SMILESCc1cc(C)nc(NCCCOc2cccnc2)n1
InChIInChI=1S/C14H18N4O/c1-11-9-12(2)18-14(17-11)16-7-4-8-19-13-5-3-6-15-10-13/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,16,17,18)
InChIKeyDBJZLELCINIWHB-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.37
Rot. Bonds6

About 4,6-dimethyl-N-(3-pyridin-3-yloxypropyl)pyrimidin-2-amine

4,6-dimethyl-N-(3-pyridin-3-yloxypropyl)pyrimidin-2-amine (PubChem CID 50970939) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4,6-dimethyl-N-(3-pyridin-3-yloxypropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-(3-pyridin-3-yloxypropyl)pyrimidin-2-amine
PubChem CID50970939
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4,6-dimethyl-N-(3-pyridin-3-yloxypropyl)pyrimidin-2-amine
SMILESCc1cc(C)nc(NCCCOc2cccnc2)n1
InChIInChI=1S/C14H18N4O/c1-11-9-12(2)18-14(17-11)16-7-4-8-19-13-5-3-6-15-10-13/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,16,17,18)
InChIKeyDBJZLELCINIWHB-UHFFFAOYSA-N
XLogP2.37
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-(3-pyridin-3-yloxypropyl)pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-(3-pyridin-3-yloxypropyl)pyrimidin-2-amine (CID 50970939) is 4,6-dimethyl-N-(3-pyridin-3-yloxypropyl)pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-(3-pyridin-3-yloxypropyl)pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-(3-pyridin-3-yloxypropyl)pyrimidin-2-amine is Cc1cc(C)nc(NCCCOc2cccnc2)n1.
What is the InChIKey of 4,6-dimethyl-N-(3-pyridin-3-yloxypropyl)pyrimidin-2-amine?
The InChIKey is DBJZLELCINIWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-11-9-12(2)18-14(17-11)16-7-4-8-19-13-5-3-6-15-10-13/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,16,17,18).
What are the key properties of 4,6-dimethyl-N-(3-pyridin-3-yloxypropyl)pyrimidin-2-amine?
4,6-dimethyl-N-(3-pyridin-3-yloxypropyl)pyrimidin-2-amine has a molecular weight of 258.32 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-(3-pyridin-3-yloxypropyl)pyrimidin-2-amine is sourced from PubChem (CID 50970939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).